| SpectraBase Spectrum ID |
6k9hdB9kzBA |
| Name |
Letrozole |
| CAS Registry Number |
112809-51-5 |
| Classification |
Aromatase inhibitor |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
285.101445374 u |
| Formula |
C17H11N5 |
| InChI |
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H |
| InChIKey |
HPJKCIUCZWXJDR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
285.310 g/mol |
| SMILES |
c1(ccc(C([n]2cncn2)c2ccc(cc2)C#N)cc1)C#N |
| SPLASH |
splash10-014i-3890000000-8f270b1414f83dc2bcb1 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7510 |
