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(Z)-Tamoxifen
SpectraBase Compound ID 1Yx1bYHL6ID
InChI InChI=1S/C27H31NO2/c1-5-26(21-11-15-24(29-4)16-12-21)27(22-9-7-6-8-10-22)23-13-17-25(18-14-23)30-20-19-28(2)3/h6-18H,5,19-20H2,1-4H3/b27-26-
InChIKey PMWJTPHWEQSWRQ-RQZHXJHFSA-N
Mol Weight 401.55 g/mol
Molecular Formula C27H31NO2
Exact Mass 401.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 470kMBloluw
Name (Z)-Tamoxifen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO2
InChI InChI=1S/C27H31NO2/c1-5-26(21-11-15-24(29-4)16-12-21)27(22-9-7-6-8-10-22)23-13-17-25(18-14-23)30-20-19-28(2)3/h6-18H,5,19-20H2,1-4H3/b27-26-
InChIKey PMWJTPHWEQSWRQ-RQZHXJHFSA-N
Literature Reference DOI 10.1021/acs.joc.6b00203
Molecular Weight 401.550 g/mol
SMILES c1(\C(=C\(c2ccccc2)c2ccc(cc2)OCCN(C)C)CC)ccc(cc1)OC
SPLASH splash10-0ab9-9111000000-6b6788a11077f956cfec
Source of Spectrum J-81-3254-3254_2
Synonyms (Z)-2-(4-(2-(4-methoxyphenyl)-1-phenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethan-1-amine
Wiley ID 1804443