| SpectraBase Spectrum ID |
4K2i7gnTWG |
| Name |
4-Isobenzofuranol, octahydro-3A,7A-dimethyl-, (3A.alpha.,4.beta.,7A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.130679818 u |
| Formula |
C10H18O2 |
| InChI |
InChI=1S/C10H18O2/c1-9-5-3-4-8(11)10(9,2)7-12-6-9/h8,11H,3-7H2,1-2H3 |
| InChIKey |
QWWNJHWMCCBFHT-UHFFFAOYSA-N |
| Molecular Weight |
170.252 g/mol |
| SMILES |
CC12C(C)(CCCC2O)COC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972783 |
