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Methyl 3-(N-benzyl-N-chlorocarbonyl)aminopropanoate

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

Methyl 3-(N-benzyl-N-chlorocarbonyl)aminopropanoate
SpectraBase Compound ID 6VfCFFCogB4
InChI InChI=1S/C12H14ClNO3/c1-17-11(15)7-8-14(12(13)16)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey HMLYUFYJULLLRT-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 45YVEYJyuz2
Name Methyl 3-(N-benzyl-N-chlorocarbonyl)aminopropanoate
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/c1-17-11(15)7-8-14(12(13)16)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey HMLYUFYJULLLRT-UHFFFAOYSA-N
Molecular Weight 255.701 g/mol
SMILES C(CCN(C(=O)Cl)CC=1C=CC=CC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91504