SpectraBase Compound ID | H8QnHTxnNuY |
---|---|
InChI | InChI=1S/C21H34O/c1-18-10-5-6-11-19(18,2)16-8-13-20(3)17(15(16)7-12-18)9-14-21(20,4)22/h5-6,15-17,22H,7-14H2,1-4H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1 |
InChIKey | DTWYFYUJPKFHFH-OUZKAEIWSA-N |
Mol Weight | 302.5 g/mol |
Molecular Formula | C21H34O |
Exact Mass | 302.260966 g/mol |
SpectraBase Spectrum ID | 1HGK5bMwlQs |
---|---|
Name | Desoxymethyltestosterone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 302.260965714 u |
Formula | C21H34O |
InChI | InChI=1S/C21H34O/c1-18-10-5-6-11-19(18,2)16-8-13-20(3)17(15(16)7-12-18)9-14-21(20,4)22/h5-6,15-17,22H,7-14H2,1-4H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1 |
InChIKey | DTWYFYUJPKFHFH-OUZKAEIWSA-N |
Molecular Weight | 302.502 g/mol |
SMILES | O[C@]1(CC[C@]2([C@@]3(CC[C@]4(CC=CC[C@@]4([C@]3(CC[C@]12C)[H])C)C)[H])[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840846 |