| SpectraBase Compound ID | 1vWxiSYt8Ot |
|---|---|
| InChI | InChI=1S/C12H18ClN3O/c1-9(13)5-6-10(11(17)12(2,3)4)16-8-14-7-15-16/h5,7-8,10H,6H2,1-4H3/b9-5- |
| InChIKey | BOYTWRXGJHZAJI-UITAMQMPSA-N |
| Mol Weight | 255.75 g/mol |
| Molecular Formula | C12H18ClN3O |
| Exact Mass | 255.11384 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | HrOgHpeDrBw |
|---|---|
| Name | 6-Octen-3-one, 7-chloro-2,2-dimethyl-4-(1H-1,2,4-triazol-1-yl)-, (+/-)- |
| CAS Registry Number | 110858-10-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H18ClN3O |
| InChI | InChI=1S/C12H18ClN3O/c1-9(13)5-6-10(11(17)12(2,3)4)16-8-14-7-15-16/h5,7-8,10H,6H2,1-4H3/b9-5- |
| InChIKey | BOYTWRXGJHZAJI-UITAMQMPSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | Film |