| SpectraBase Spectrum ID |
Ksh5JGnQBEE |
| Name |
3-Methyl-8A-oxidanyl-5,6,7,8-tetrahydro-4H-cyclohepta[B]furan-2-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/c1-7-8-5-3-2-4-6-10(8,12)13-9(7)11/h12H,2-6H2,1H3 |
| InChIKey |
QYOOFFBBMGGQGM-UHFFFAOYSA-N |
| Molecular Weight |
182.219 g/mol |
| SMILES |
C12(OC(=O)C(=C2CCCCC1)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843306 |
![3-Methyl-8a-oxidanyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-2-one](/api/spectrum/Ksh5JGnQBEE/structure.png?h=300&w=458 "3-Methyl-8a-oxidanyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-2-one")
