| SpectraBase Spectrum ID |
KfubGksEohn |
| Name |
6-Chloro-3,3-dimethyl-4-hydroxy-5-oxohexanoic acid, gamma-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.039671911 u |
| Formula |
C8H11ClO3 |
| InChI |
InChI=1S/C8H11ClO3/c1-8(2)3-6(11)12-7(8)5(10)4-9/h7H,3-4H2,1-2H3 |
| InChIKey |
JVUBBMJOFOALOF-UHFFFAOYSA-N |
| Molecular Weight |
190.626 g/mol |
| SMILES |
CC1(C(OC(C1)=O)C(CCl)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.938992 |
