| SpectraBase Spectrum ID |
53HvXV7RjM |
| Name |
Fumaric acid, 3,4-dimethylphenyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.308309828 u |
| Formula |
C27H42O4 |
| InChI |
InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)19-20-27(29)31-25-18-17-23(2)24(3)22-25/h17-20,22H,4-16,21H2,1-3H3/b20-19+ |
| InChIKey |
BMIHDGVPBQEZNB-FMQUCBEESA-N |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C(CCCCOC(\C=C\C(OC1=CC=C(C(=C1)C)C)=O)=O)CCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809574 |
