| SpectraBase Spectrum ID |
9jx6Ln8H1SE |
| Name |
Succinic acid, dodecyl 3-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-4-7-9-10-11-12-13-14-15-16-20-26-22(24)18-19-23(25)27-21(6-3)17-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
BLQHDPDWPCWNAR-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(C(OC(CC)CCCC)=O)CC(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863459 |
