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Adipic acid, cyclohexylmethyl ethyl ester

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

Adipic acid, cyclohexylmethyl ethyl ester
SpectraBase Compound ID 4XHpRV6YMpk
InChI InChI=1S/C15H26O4/c1-2-18-14(16)10-6-7-11-15(17)19-12-13-8-4-3-5-9-13/h13H,2-12H2,1H3
InChIKey AOWALCFIFFOQDQ-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3drlN3q8h01
Name Adipic acid, cyclohexylmethyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-2-18-14(16)10-6-7-11-15(17)19-12-13-8-4-3-5-9-13/h13H,2-12H2,1H3
InChIKey AOWALCFIFFOQDQ-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C(C(=O)OCC1CCCCC1)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94429