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3-Methoxy-D-homo-18-norestra-1,3,5(10),8,13-pentaen-17A-one

View entire compound with spectra: 1 FTIR

3-Methoxy-D-homo-18-norestra-1,3,5(10),8,13-pentaen-17A-one
SpectraBase Compound ID L2M0kKfZCkO
InChI InChI=1S/C19H20O2/c1-21-13-6-8-14-12(11-13)5-7-17-15-3-2-4-19(20)18(15)10-9-16(14)17/h6,8,11H,2-5,7,9-10H2,1H3
InChIKey YYLZRAIPCBEFMD-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CT7KKcFHjc5
Name 3-Methoxy-D-homo-18-norestra-1,3,5(10),8,13-pentaen-17A-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.146329882 u
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-21-13-6-8-14-12(11-13)5-7-17-15-3-2-4-19(20)18(15)10-9-16(14)17/h6,8,11H,2-5,7,9-10H2,1H3
InChIKey YYLZRAIPCBEFMD-UHFFFAOYSA-N
SMILES C12=CC(=CC=C2C2=C(CC1)C1=C(C(CCC1)=O)CC2)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816096