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Epitestosterone, butyrate

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

Epitestosterone, butyrate
SpectraBase Compound ID 6q5SN2XOwwW
InChI InChI=1S/C23H34O3/c1-4-5-21(25)26-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h14,17-20H,4-13H2,1-3H3
InChIKey OMPTUWYLCDEFSJ-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ABOCcWKJsYc
Name Epitestosterone, butyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-4-5-21(25)26-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h14,17-20H,4-13H2,1-3H3
InChIKey OMPTUWYLCDEFSJ-UHFFFAOYSA-N
Molecular Weight 358.522 g/mol
SMILES CC12C(C3C(CC2)C2(C(CC3)=CC(CC2)=O)C)CCC1OC(=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960984