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Fumaric acid, 2-butyl pentadecyl ester
SpectraBase Compound ID 8I7BcnASSVr
InChI InChI=1S/C23H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(24)18-19-23(25)27-21(3)5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+
InChIKey MXEXYKONXBTJMF-VHEBQXMUSA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 55qeCT0Uhyl
Name Fumaric acid, 2-butyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(24)18-19-23(25)27-21(3)5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+
InChIKey MXEXYKONXBTJMF-VHEBQXMUSA-N
Molecular Weight 382.585 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCC)=O)(OC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912914