| SpectraBase Spectrum ID |
2mKA2SgQViC |
| Name |
Anastrozole |
| CAS Registry Number |
120511-73-1 |
| Classification |
Pharmaceutical drug, aromatase inhibitor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
293.164045632 u |
| Formula |
C17H19N5 |
| InChI |
InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 |
| InChIKey |
YBBLVLTVTVSKRW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
293.374 g/mol |
| Nominal Mass |
293 u |
| Quality |
972 |
| Retention Index |
2437 |
| SMILES |
C=1(C(C#N)(C)C)C=C(C(C#N)(C)C)C=C(C1)CN1N=CN=C1 |
| SPLASH |
splash10-0ab9-4970000000-82bf829d45ef77a762b0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Anastrazole
Arimidex
2-[3-(2-Cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitril |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017349 |
