| SpectraBase Spectrum ID |
9DAsHPVGlqR |
| Name |
(1R,4as,8S,8as)-8-(5'-Methoxy-2'-methylphenyl)-8-methyldecahydronaphthalen-1-ylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.219494823 u |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-14-9-10-17(24-3)13-18(14)21(2)11-5-8-15-6-4-7-16(20(15)21)12-19(22)23/h9-10,13,15-16,20H,4-8,11-12H2,1-3H3,(H,22,23)/t15-,16+,20-,21+/m0/s1 |
| InChIKey |
AWBNXIZCDWPPKQ-LXDRIQHSSA-N |
| Molecular Weight |
330.468 g/mol |
| SMILES |
[C@]1(C=2C(=CC=C(C2)OC)C)([C@@]2([C@@](CC(=O)O)(CCC[C@@]2([H])CCC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890553 |
