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1,1-Cyclopentanedicarboxylic acid, 2-butyl-, diethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,1-Cyclopentanedicarboxylic acid, 2-butyl-, diethyl ester
SpectraBase Compound ID CL9frGdJ4h4
InChI InChI=1S/C15H26O4/c1-4-7-9-12-10-8-11-15(12,13(16)18-5-2)14(17)19-6-3/h12H,4-11H2,1-3H3
InChIKey KDYFHCKLDGDZNR-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 2K2R7vZgsv9
Name 1,1-Cyclopentanedicarboxylic acid, 2-butyl-, diethyl 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/c1-4-7-9-12-10-8-11-15(12,13(16)18-5-2)14(17)19-6-3/h12H,4-11H2,1-3H3
InChIKey KDYFHCKLDGDZNR-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C1(C(=O)OCC)(C(=O)OCC)C(CCC1)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925729