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Succinic acid, cyclohexylmethyl 3-methylbut-2-en-1-yl ester

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

Succinic acid, cyclohexylmethyl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID 2Mv4St1fNpJ
InChI InChI=1S/C16H26O4/c1-13(2)10-11-19-15(17)8-9-16(18)20-12-14-6-4-3-5-7-14/h10,14H,3-9,11-12H2,1-2H3
InChIKey NMZMZAPCRLGSJK-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DwY7k0gjIwr
Name Succinic acid, cyclohexylmethyl 3-methylbut-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.183109313 u
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-13(2)10-11-19-15(17)8-9-16(18)20-12-14-6-4-3-5-7-14/h10,14H,3-9,11-12H2,1-2H3
InChIKey NMZMZAPCRLGSJK-UHFFFAOYSA-N
SMILES C(CC(OCC1CCCCC1)=O)C(OCC=C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82509