| SpectraBase Spectrum ID |
B0j5zp58dbk |
| Name |
Succinic acid, 3-methylbut-2-yl but-3-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-5-6-9-16-12(14)7-8-13(15)17-11(4)10(2)3/h5,10-11H,1,6-9H2,2-4H3 |
| InChIKey |
QJUBXZHVTFKCOP-UHFFFAOYSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
C(CC(OC(C(C)C)C)=O)C(OCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965043 |
