| SpectraBase Spectrum ID |
915FGQZz3ND |
| Name |
Succinic acid, 3,7-dimethyloct-6-en-1-yl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-14(2)7-6-8-16(5)11-12-21-17(19)9-10-18(20)22-13-15(3)4/h7,15-16H,6,8-13H2,1-5H3 |
| InChIKey |
CWXJIOXASAIOON-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
CC(C)=CCCC(C)CCOC(CCC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989863 |
