| SpectraBase Spectrum ID |
Aijfg8Ms13G |
| Name |
Fumaric acid, tetradec-3-enyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.386560150 u |
| Formula |
C29H52O4 |
| InChI |
InChI=1S/C29H52O4/c1-3-5-7-9-11-13-14-15-17-19-21-23-27-33-29(31)25-24-28(30)32-26-22-20-18-16-12-10-8-6-4-2/h19,21,24-25H,3-18,20,22-23,26-27H2,1-2H3/b21-19+,25-24+ |
| InChIKey |
NZABBEYBGSAODK-UBSPVRHQSA-N |
| Molecular Weight |
464.731 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975596 |
