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Hexestrol, o-methoxycarbonyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Hexestrol, o-methoxycarbonyl-
SpectraBase Compound ID iun1n6Rl1M
InChI InChI=1S/C20H24O4/c1-4-18(14-6-10-16(21)11-7-14)19(5-2)15-8-12-17(13-9-15)24-20(22)23-3/h6-13,18-19,21H,4-5H2,1-3H3
InChIKey QLLRQUQTSPVRLT-UHFFFAOYSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I6IvbOBd7DY
Name Hexestrol, o-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-4-18(14-6-10-16(21)11-7-14)19(5-2)15-8-12-17(13-9-15)24-20(22)23-3/h6-13,18-19,21H,4-5H2,1-3H3
InChIKey QLLRQUQTSPVRLT-UHFFFAOYSA-N
Molecular Weight 328.408 g/mol
SMILES C(C(CC)C1=CC=C(C=C1)OC(OC)=O)(CC)C1=CC=C(C=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850366