| SpectraBase Spectrum ID |
AyxmhJvJQ4f |
| Name |
Androsta-5,7-dien-3-ol, (3.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.214015521 u |
| Formula |
C19H28O |
| InChI |
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5-6,14,16-17,20H,3-4,7-12H2,1-2H3/t14-,16-,17-,18-,19-/m0/s1 |
| InChIKey |
IDMUJCWCVWMQEH-GBBGEASQSA-N |
| Molecular Weight |
272.432 g/mol |
| SMILES |
C1=2[C@@]([C@]3(CC[C@@](CC3=CC2)(O)[H])C)(CC[C@]2([C@]1(CCC2)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854949 |
