| SpectraBase Spectrum ID |
As3DpD0U4O2 |
| Name |
5,8-Methano-1H-2-benzopyran-1-one, octahydro-, (4A.alpha.,5.alpha.,8.alpha.,8A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.099379689 u |
| Formula |
C10H14O2 |
| InChI |
InChI=1S/C10H14O2/c11-10-9-7-2-1-6(5-7)8(9)3-4-12-10/h6-9H,1-5H2/t6-,7+,8-,9+/m1/s1 |
| InChIKey |
NEUGKNZYJOBUMM-XAVMHZPKSA-N |
| Molecular Weight |
166.220 g/mol |
| SMILES |
[C@]12([C@@]3(C[C@]([C@]2(CCOC1=O)[H])(CC3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834313 |
