| SpectraBase Spectrum ID |
2Ec6UUKvCcp |
| Name |
(3ar,4R,7ar)-4-Isopropyl-7-methyl-1,3,3A,4,5,7A-hexahydroinden-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-8(2)11-5-4-9(3)12-6-10(14)7-13(11)12/h4,8,11-13H,5-7H2,1-3H3/t11-,12+,13-/m1/s1 |
| InChIKey |
LWQSWTXTIMXDLO-FRRDWIJNSA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
C1C(C[C@@]2([C@](CC=C([C@]12[H])C)(C(C)C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891191 |
