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Cyclopentanecarboxylic acid, 4-neopentylidene-2-phenyl-, methyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Cyclopentanecarboxylic acid, 4-neopentylidene-2-phenyl-, methyl ester
SpectraBase Compound ID IqzVQV0i2ec
InChI InChI=1S/C18H24O2/c1-18(2,3)12-13-10-15(14-8-6-5-7-9-14)16(11-13)17(19)20-4/h5-9,12,15-16H,10-11H2,1-4H3/b13-12-
InChIKey JCLQCHZCKHEIRO-SEYXRHQNSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 76ta4sSJeNY
Name Cyclopentanecarboxylic acid, 4-neopentylidene-2-phenyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.177630011 u
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18(2,3)12-13-10-15(14-8-6-5-7-9-14)16(11-13)17(19)20-4/h5-9,12,15-16H,10-11H2,1-4H3/b13-12-
InChIKey JCLQCHZCKHEIRO-SEYXRHQNSA-N
SMILES C1=CC=CC(=C1)C1C(C\C(=C/C(C)(C)C)C1)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847637