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Anastrozole
SpectraBase Compound ID 2oSxJBkNn2x
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
Mol Weight 293.37 g/mol
Molecular Formula C17H19N5
Exact Mass 293.164046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mU8XhrAMme
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 956
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 splash10-0ab9-1690000000-382c75d439eafa410e80
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_014024