| SpectraBase Spectrum ID |
E0JbgLzWp2h |
| Name |
(1R,3ar)-Methyl 1-benzyl-1,6,6-trimethyl-1,2,3,4,5,6-hexahydroindene-3A-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-19(2)10-12-21(18(22)23-4)13-11-20(3,17(21)15-19)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3/t20-,21-/m1/s1 |
| InChIKey |
UIHJWTDEXPATQB-NHCUHLMSSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
C=12[C@](C(=O)OC)(CC[C@@]2(CC2=CC=CC=C2)C)CCC(C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810566 |
