| SpectraBase Spectrum ID |
2xer8BVeCzO |
| Name |
Succinic acid, isobutyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.167459249 u |
| Formula |
C13H24O4 |
| InChI |
InChI=1S/C13H24O4/c1-10(2)8-16-11(14)6-7-12(15)17-9-13(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey |
APPJUUNSUMLJDI-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
C(CCC(OCC(C)(C)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944683 |
