| SpectraBase Spectrum ID |
Eaugl93SooK |
| Name |
2-(4B,8,8,10A-Tetramethyl-2-methylenetetradecahydrophenanthren-1-yl)acetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-14-7-8-17-20(4,15(14)13-18(22)23)12-9-16-19(2,3)10-6-11-21(16,17)5/h15-17H,1,6-13H2,2-5H3,(H,22,23) |
| InChIKey |
KBJOZJOQKIKCNS-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C(CC1C(CCC2C1(C)CCC1C2(CCCC1(C)C)C)=C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935307 |
