| SpectraBase Spectrum ID |
3QqWVKe9Ueo |
| Name |
(3S,3as,6as)-3-Methyl-3,3A,4,6A-tetrahydrocyclopenta[B]furan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
138.068079560 u |
| Formula |
C8H10O2 |
| InChI |
InChI=1S/C8H10O2/c1-5-6-3-2-4-7(6)10-8(5)9/h2,4-7H,3H2,1H3/t5-,6?,7?/m0/s1 |
| InChIKey |
NRIBYMAYGIZFIY-VTSJMVTISA-N |
| Molecular Weight |
138.166 g/mol |
| SMILES |
C1(OC2C=CCC2[C@@]1(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812502 |
![(3S,3aS,6aS)-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one](/api/spectrum/3QqWVKe9Ueo/structure.png?h=300&w=458 "(3S,3aS,6aS)-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one")
