| SpectraBase Spectrum ID |
GWabUvm9jZw |
| Name |
Letrozole |
| CAS Registry Number |
112809-51-5 |
| Classification |
Pharmaceutical drug, cancer therapeutic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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 |
| Nominal Mass |
285 u |
| Quality |
987 |
| Retention Index |
2609 |
| SMILES |
C(C=1C=CC(=CC1)C#N)(C=1C=CC(=CC1)C#N)N1N=CN=C1 |
| SPLASH |
splash10-014i-2970000000-d6fae5a76437bd49931c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032805 |
