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Tamoxifen P1321

View entire compound with spectra: 1 NMR, 1 FTIR, 1 MS (GC), and 2 MS (LC)

Tamoxifen P1321
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L6K7tCYY5Zb
Name Tamoxifen P1321
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
Molecular Weight 371.524 g/mol
SMILES C(=C(C1=CC=C(C=C1)OCCN(C)C)CC)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820821