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Adipic acid, cycloheptyl ethyl ester

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

Adipic acid, cycloheptyl ethyl ester
SpectraBase Compound ID FjGfFsv6rYl
InChI InChI=1S/C15H26O4/c1-2-18-14(16)11-7-8-12-15(17)19-13-9-5-3-4-6-10-13/h13H,2-12H2,1H3
InChIKey NCUMHSHETMOILE-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 1rKBzuDLepe
Name Adipic acid, cycloheptyl 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)11-7-8-12-15(17)19-13-9-5-3-4-6-10-13/h13H,2-12H2,1H3
InChIKey NCUMHSHETMOILE-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C1(OC(=O)CCCCC(OCC)=O)CCCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954381