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Methyl 2-benzamido-3-[methylthio]butyrate
SpectraBase Compound ID Lk57pqpDGK3
InChI InChI=1S/C13H17NO3S/c1-9(18-3)11(13(16)17-2)14-12(15)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,15)
InChIKey DFARIQUIVJZNCK-UHFFFAOYSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KFidTRNXTXj
Name Methyl 2-benzamido-3-[methylthio]butyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.092914582 u
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-9(18-3)11(13(16)17-2)14-12(15)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,15)
InChIKey DFARIQUIVJZNCK-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES C(SC)(C(NC(C1=CC=CC=C1)=O)C(=O)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877069