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2-Methoxy-2-phenyl-cyclopropanecarboxylic acid ethyl ester

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

2-Methoxy-2-phenyl-cyclopropanecarboxylic acid ethyl ester
SpectraBase Compound ID F7gv2qZa7Fn
InChI InChI=1S/C13H16O3/c1-3-16-12(14)11-9-13(11,15-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey SMIKOOKFNIKEGW-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID P6c0p9H2Ad
Name 2-Methoxy-2-phenylcyclopropanecarboxylic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-3-16-12(14)11-9-13(11,15-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey SMIKOOKFNIKEGW-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C1(CC1(OC)C1=CC=CC=C1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943856