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Succinic acid, cycloheptyl propyl ester

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

Succinic acid, cycloheptyl propyl ester
SpectraBase Compound ID BGFe28KDJjK
InChI InChI=1S/C14H24O4/c1-2-11-17-13(15)9-10-14(16)18-12-7-5-3-4-6-8-12/h12H,2-11H2,1H3
InChIKey QYKHCISNAYFGRJ-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1RW2EqmeWBS
Name Succinic acid, cycloheptyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-2-11-17-13(15)9-10-14(16)18-12-7-5-3-4-6-8-12/h12H,2-11H2,1H3
InChIKey QYKHCISNAYFGRJ-UHFFFAOYSA-N
Molecular Weight 256.342 g/mol
SMILES C(OC1CCCCCC1)(CCC(=O)OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934716