| SpectraBase Spectrum ID |
4ipFdAHCWzg |
| Name |
Succinic acid, 2,3-dimethylphenyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.370910086 u |
| Formula |
C30H50O4 |
| InChI |
InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-33-29(31)23-24-30(32)34-28-22-20-21-26(2)27(28)3/h20-22H,4-19,23-25H2,1-3H3 |
| InChIKey |
GAMVMNKXFDZKBD-UHFFFAOYSA-N |
| Molecular Weight |
474.726 g/mol |
| SMILES |
C(CC(OC1=C(C(C)=CC=C1)C)=O)C(OCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807563 |
