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Methyl 2-[(carbobenzoyl)amino]-3-mercaptopropionate

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Methyl 2-[(carbobenzoyl)amino]-3-mercaptopropionate
SpectraBase Compound ID JxQ5G3Y6A6G
InChI InChI=1S/C12H15NO4S/c1-16-11(14)7-9(8-18)13-12(15)17-10-5-3-2-4-6-10/h2-6,9,18H,7-8H2,1H3,(H,13,15)
InChIKey XIJHBQIXZBDCOX-UHFFFAOYSA-N
Mol Weight 269.31 g/mol
Molecular Formula C12H15NO4S
Exact Mass 269.072179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFby8iCKBnK
Name Methyl 2-[(carbobenzoyl)amino]-3-mercaptopropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.072179137 u
Formula C12H15NO4S
InChI InChI=1S/C12H15NO4S/c1-16-11(14)7-9(8-18)13-12(15)17-10-5-3-2-4-6-10/h2-6,9,18H,7-8H2,1H3,(H,13,15)
InChIKey XIJHBQIXZBDCOX-UHFFFAOYSA-N
SMILES C(NC(CC(=O)OC)CS)(OC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955013