| SpectraBase Spectrum ID |
DYfFTSJhTxY |
| Name |
Succinic acid, dec-2-yl 3-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-5-8-10-11-12-13-14-18(4)24-20(22)16-17-21(23)25-19(7-3)15-9-6-2/h18-19H,5-17H2,1-4H3 |
| InChIKey |
KJLBYSKZBSEQTM-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CC(OC(CCCCCCCC)C)=O)C(OC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865338 |
