| SpectraBase Spectrum ID |
CKTdLH20FKs |
| Name |
(-)-(3S,3ar,7as)-trans-hexahydro-3-methyl-2(3H)-benzofuranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
154.099379689 u |
| Formula |
C9H14O2 |
| InChI |
InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h6-8H,2-5H2,1H3/t6-,7+,8-/m0/s1 |
| InChIKey |
YBWKITXSXPBILI-RNJXMRFFSA-N |
| Molecular Weight |
154.209 g/mol |
| SMILES |
C1(O[C@]2(CCCC[C@@]2([C@@]1(C)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9456 |
