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3-Methoxy-17.beta.-hydroxy-cis-estra-1,3,5(10),6,8-pentaene

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

3-Methoxy-17.beta.-hydroxy-cis-estra-1,3,5(10),6,8-pentaene
SpectraBase Compound ID 8VpOl6mvzl6
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,17-18,20H,7-10H2,1-2H3
InChIKey SWFUNVLLZDCANO-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Af76QEqbhWY
Name 3-Methoxy-17.beta.-hydroxy-cis-estra-1,3,5(10),6,8-pentaene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.161979946 u
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,17-18,20H,7-10H2,1-2H3
InChIKey SWFUNVLLZDCANO-UHFFFAOYSA-N
SMILES C1(=CC=C2C(=C1)C=CC1=C2CCC2(C1CCC2O)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803073