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Succinic acid, 2-ethylhexyl hex-5-en-1-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 2-ethylhexyl hex-5-en-1-yl ester
SpectraBase Compound ID 1PgF9qYejfQ
InChI InChI=1S/C18H32O4/c1-4-7-9-10-14-21-17(19)12-13-18(20)22-15-16(6-3)11-8-5-2/h4,16H,1,5-15H2,2-3H3
InChIKey ZEDDXIPTSZFJQL-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ju4s40Qzh8d
Name Succinic acid, 2-ethylhexyl hex-5-en-1-yl 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/c1-4-7-9-10-14-21-17(19)12-13-18(20)22-15-16(6-3)11-8-5-2/h4,16H,1,5-15H2,2-3H3
InChIKey ZEDDXIPTSZFJQL-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OCCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851604