SpectraBase Spectrum ID |
JiOAkk9PDwi |
Name |
Fumaric acid, 2-butyl decyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
312.230059506 u |
Formula |
C18H32O4 |
InChI |
InChI=1S/C18H32O4/c1-4-6-7-8-9-10-11-12-15-21-17(19)13-14-18(20)22-16(3)5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
InChIKey |
GAZUGNLPSYKSNJ-BUHFOSPRSA-N |
Molecular Weight |
312.450 g/mol |
SMILES |
C(\C=C\C(OCCCCCCCCCC)=O)(OC(CC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943402 |