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Tamoxifen
SpectraBase Compound ID 3vVzVRXrtCD
InChI InChI=1S/C26H29NO/c1-4-25(21-15-17-24(18-16-21)28-20-19-27(2)3)26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18H,4,19-20H2,1-3H3
InChIKey LLQVGIUTPUBLKB-UHFFFAOYSA-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 2fzU8WxKMq
Name Tamoxifen
CAS Registry Number 10540-29-1
Classification Antiestrogen
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 371.224914557 u
Formula C26H29NO
InChI InChI=1S/C26H29NO/c1-4-25(21-15-17-24(18-16-21)28-20-19-27(2)3)26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18H,4,19-20H2,1-3H3
InChIKey LLQVGIUTPUBLKB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 371.524 g/mol
SMILES C(=C(c1ccc(cc1)OCCN(C)C)CC)(c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-9110000000-6f5c1525ab45f3600c7b
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_5706