| SpectraBase Spectrum ID |
KPfdJ5IE0H1 |
| Name |
(6R)-7A-Hydroxy-3,6-dimethyl-5,6,7,7A-tetrahydrobenzofuran-2(4H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.094294308 u |
| Formula |
C10H14O3 |
| InChI |
InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3 |
| InChIKey |
LBNWZGLSMCTAQB-UHFFFAOYSA-N |
| Molecular Weight |
182.219 g/mol |
| SMILES |
C1(OC2(C(=C1C)CCC(C2)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886223 |
