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Epitestosterone, methyl ether

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

Epitestosterone, methyl ether
SpectraBase Compound ID J5bYf1zXlkx
InChI InChI=1S/C20H30O2/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h12,15-18H,4-11H2,1-3H3
InChIKey UWXJGQPTBMQNOW-UHFFFAOYSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FsaRjve4xZg
Name Epitestosterone, methyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h12,15-18H,4-11H2,1-3H3
InChIKey UWXJGQPTBMQNOW-UHFFFAOYSA-N
SMILES C12(C(C3C(CC2)C2(C(=CC(CC2)=O)CC3)C)CCC1OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957596