| SpectraBase Spectrum ID |
xkAo0bLjw |
| Name |
(3S)-3-Isopropyl-6-methyl-7-oxabicyclo [4.1.0] heptan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
168.115029753 u |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h6-7,9H,4-5H2,1-3H3/t7-,9?,10?/m0/s1 |
| InChIKey |
IAFONZHDZMCORS-WFRXLMHJSA-N |
| Molecular Weight |
168.236 g/mol |
| SMILES |
C1C2(C(C([C@@](C1)(C(C)C)[H])=O)O2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926947 |
![(3S)-3-isopropyl-6-methyl-7-oxabicyclo [4.1.0] heptan-2-one](/api/spectrum/xkAo0bLjw/structure.png?h=300&w=458 "(3S)-3-isopropyl-6-methyl-7-oxabicyclo [4.1.0] heptan-2-one")
