| SpectraBase Spectrum ID |
IOIS0zsJHLS |
| Name |
(4as,10As)-1,1-dimethyl-6-methoxy-1,2,3,4,4A,10A-hexahydrophenamnhrene-4A-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.156894565 u |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-17(2)9-4-10-18(16(19)20)14-11-13(21-3)7-5-12(14)6-8-15(17)18/h5-8,11,15H,4,9-10H2,1-3H3,(H,19,20)/t15-,18-/m1/s1 |
| InChIKey |
KDNZEGONBLPTET-CRAIPNDOSA-N |
| SMILES |
[C@@]12(C=3C(=CC=C(C3)OC)C=C[C@@]1(C(C)(C)CCC2)[H])C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834201 |
