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D-Homoestra-1,3,5(10),15-tetraen-17a-one, 3-methoxy-

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

D-Homoestra-1,3,5(10),15-tetraen-17a-one, 3-methoxy-
SpectraBase Compound ID 7UFPpP5pbYn
InChI InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h3-4,7,9,12,16-18H,5-6,8,10-11H2,1-2H3
InChIKey PRAPLAVCWXQYIH-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C20H24O2
Exact Mass 296.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Il2GuZ34Wpo
Name D-Homoestra-1,3,5(10),15-tetraen-17A-one, 3-methoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.177630011 u
Formula C20H24O2
InChI InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h3-4,7,9,12,16-18H,5-6,8,10-11H2,1-2H3
InChIKey PRAPLAVCWXQYIH-UHFFFAOYSA-N
SMILES C12(C)C(C3C(CC2)C2=C(CC3)C=C(C=C2)OC)C=CCC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885832