| SpectraBase Spectrum ID |
3CYPlIb2lBA |
| Name |
2H-1-Benzopyran-2-one, octahydro-5,5,8A-trimethyl-, trans-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-11(2)7-4-8-12(3)9(11)5-6-10(13)14-12/h9H,4-8H2,1-3H3/t9-,12-/m1/s1 |
| InChIKey |
SHICNVFFVVSNLW-BXKDBHETSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
[C@]12(OC(=O)CC[C@@]2(C(C)(C)CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975572 |
