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Succinic acid, butyl cycloheptyl ester

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

Succinic acid, butyl cycloheptyl ester
SpectraBase Compound ID 97whcCIFbrq
InChI InChI=1S/C15H26O4/c1-2-3-12-18-14(16)10-11-15(17)19-13-8-6-4-5-7-9-13/h13H,2-12H2,1H3
InChIKey JEXBMIHUQYESAQ-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 9eroyJQ6QCR
Name Succinic acid, butyl cycloheptyl 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/c1-2-3-12-18-14(16)10-11-15(17)19-13-8-6-4-5-7-9-13/h13H,2-12H2,1H3
InChIKey JEXBMIHUQYESAQ-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES CCCCOC(CCC(OC1CCCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892056