| SpectraBase Spectrum ID |
1nRAYyuF4Te |
| Name |
(1S,4as)-6-Methoxy-1,4A,7-trimethyl-2,3,4,9,10,10A-hexahydrophenanthrene-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.188194694 u |
| Formula |
C19H26O3 |
| InChI |
InChI=1S/C19H26O3/c1-12-10-13-6-7-16-18(2,14(13)11-15(12)22-4)8-5-9-19(16,3)17(20)21/h10-11,16H,5-9H2,1-4H3,(H,20,21)/t16?,18-,19+/m1/s1 |
| InChIKey |
ROGLDBCGXMDQRP-VITQDTLGSA-N |
| SMILES |
[C@]12(C3=C(C=C(C(=C3)OC)C)CCC1[C@](C(=O)O)(C)CCC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968278 |
