| SpectraBase Spectrum ID |
9RNeeH4ucTk |
| Name |
.alpha.-Carboxy-.alpha.-methyl-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.073558862 u |
| Formula |
C8H12O4 |
| InChI |
InChI=1S/C8H12O4/c1-7(2)4-8(3,5(9)10)6(11)12-7/h4H2,1-3H3,(H,9,10) |
| InChIKey |
UBRMJYVZFIXZDR-UHFFFAOYSA-N |
| Molecular Weight |
172.180 g/mol |
| SMILES |
C1(C(OC(C1)(C)C)=O)(C(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973321 |
