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Benzestrol

View entire compound with spectra: 1 FTIR, and 4 MS (GC)

Benzestrol
SpectraBase Compound ID FxY3bGo7cLF
InChI InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3
InChIKey DUTFBSAKKUNBAL-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I6gknZyeQPP
Name Benzestrol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3
InChIKey DUTFBSAKKUNBAL-UHFFFAOYSA-N
Molecular Weight 298.426 g/mol
SMILES OC1=CC=C(C(C(C(C2=CC=C(C=C2)O)CC)CC)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888794