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Succinic acid, hept-2-yl (2-chlorocyclohexyl)methyl ester

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

Succinic acid, hept-2-yl (2-chlorocyclohexyl)methyl ester
SpectraBase Compound ID E7Hk0opE5Ri
InChI InChI=1S/C18H31ClO4/c1-3-4-5-8-14(2)23-18(21)12-11-17(20)22-13-15-9-6-7-10-16(15)19/h14-16H,3-13H2,1-2H3
InChIKey YTQIMVBLULCHJJ-UHFFFAOYSA-N
Mol Weight 346.9 g/mol
Molecular Formula C18H31ClO4
Exact Mass 346.191087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2R5SoeJrIL3
Name Succinic acid, hept-2-yl (2-chlorocyclohexyl)methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.191087174 u
Formula C18H31ClO4
InChI InChI=1S/C18H31ClO4/c1-3-4-5-8-14(2)23-18(21)12-11-17(20)22-13-15-9-6-7-10-16(15)19/h14-16H,3-13H2,1-2H3
InChIKey YTQIMVBLULCHJJ-UHFFFAOYSA-N
Molecular Weight 346.895 g/mol
SMILES C(CC(OC(C)CCCCC)=O)C(OCC1CCCCC1Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884233