Benzoylecgonine
Compound with spectra: 2 FTIR, 1 Raman, and 5 MS (GC)
| SpectraBase Compound ID | 53EzJTIWydZ |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 |
| InChIKey | GVGYEFKIHJTNQZ-RFQIPJPRSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131408 g/mol |
| Enantiomer InChIKey | GVGYEFKIHJTNQZ-RQJABVFESA-N |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CAY-2023-850-0 |
| Catalog Number | <a href=https://www.caymanchem.com/product/9001495>9001495</a> |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01538 |
| Technique | KBr0 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01538 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 01538 |
- 3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
- (1S,3S,4R,5R)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
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