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Propionic acid, 3-benzoylamino-, 2-chloroethyl ester

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

Propionic acid, 3-benzoylamino-, 2-chloroethyl ester
SpectraBase Compound ID LoDxi0y1HrE
InChI InChI=1S/C12H14ClNO3/c13-7-9-17-11(15)6-8-14-12(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16)
InChIKey OUVNEQBTUKSZGY-UHFFFAOYSA-N
Mol Weight 255.7 g/mol
Molecular Formula C12H14ClNO3
Exact Mass 255.066221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7XMimavIprw
Name Propionic acid, 3-benzoylamino-, 2-chloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.066221012 u
Formula C12H14ClNO3
InChI InChI=1S/C12H14ClNO3/c13-7-9-17-11(15)6-8-14-12(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16)
InChIKey OUVNEQBTUKSZGY-UHFFFAOYSA-N
Molecular Weight 255.701 g/mol
SMILES C(=O)(C=1C=CC=CC1)NCCC(=O)OCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943639