| SpectraBase Spectrum ID |
9xKIYLhzLTq |
| Name |
Anastrozole |
| CAS Registry Number |
120511-73-1 |
| Classification |
Aromatase inhibitor |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
c1c(C(C)(C)C#N)cc(C(C)(C#N)C)cc1C[n]1cncn1 |
| SPLASH |
splash10-0ab9-4980000000-498b49dd94065b1e6bb0 |
| 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_9571 |
