| SpectraBase Spectrum ID |
GBTSHQP0JOJ |
| Name |
Fumaric acid, dec-4-enyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.433510344 u |
| Formula |
C32H58O4 |
| InChI |
InChI=1S/C32H58O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30-36-32(34)28-27-31(33)35-29-25-23-21-12-10-8-6-4-2/h12,21,27-28H,3-11,13-20,22-26,29-30H2,1-2H3/b21-12+,28-27+ |
| InChIKey |
KHIDZLVZWLMZTJ-KQHZTYPXSA-N |
| Molecular Weight |
506.812 g/mol |
| SMILES |
C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968846 |
