| SpectraBase Spectrum ID |
1BhMAnTH1Rr |
| Name |
Succinic acid, 2,3-dimethylphenyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)22-23-29(31)33-27-21-19-20-25(2)26(27)3/h19-21H,4-18,22-24H2,1-3H3 |
| InChIKey |
PTKWUIUYEKBXBN-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C(CC(OC1=C(C(C)=CC=C1)C)=O)C(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806067 |
