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2-Keto-2-phenyl-acetic acid cyclopropylmethyl ester

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

2-Keto-2-phenyl-acetic acid cyclopropylmethyl ester
SpectraBase Compound ID Ar3pyOKkGHG
InChI InChI=1S/C12H12O3/c13-11(10-4-2-1-3-5-10)12(14)15-8-9-6-7-9/h1-5,9H,6-8H2
InChIKey IMWYVUMCCBXQOO-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H3DKsCVgDFe
Name 2-Keto-2-phenyl-acetic acid cyclopropylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.078644243 u
Formula C12H12O3
InChI InChI=1S/C12H12O3/c13-11(10-4-2-1-3-5-10)12(14)15-8-9-6-7-9/h1-5,9H,6-8H2
InChIKey IMWYVUMCCBXQOO-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES C(C(=O)C1=CC=CC=C1)(OCC1CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911586