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Tamoxifen
SpectraBase Compound ID wpyiUEGVP5
InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N
Mol Weight 371.52 g/mol
Molecular Formula C26H29NO
Exact Mass 371.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGtbR1mI8Ho
Name Tamoxifen
CAS Registry Number 10540-29-1
Classification Pharmaceutical drug, anti-estrogen
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 371.224914557 u
Formula C26H29NO
InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 371.524 g/mol
Nominal Mass 371 u
Quality 993
Retention Index 2695
SMILES C=1(\C(=C/(C=2C=CC(=CC2)OCCN(C)C)C=2C=CC=CC2)CC)C=CC=CC1
SPLASH splash10-0a4i-9110000000-38bef32d502f0b00b23c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-[4-[(Z)-1,2-Diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine
Technique GC/MS
Wiley ID DD2024_022125