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cys-gly, N, S-di(Methoxycarbonyl)-, methyl ester

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cys-gly, N, S-di(Methoxycarbonyl)-, methyl ester
SpectraBase Compound ID Bwp8WsYgUyf
InChI InChI=1S/C10H16N2O7S/c1-17-7(13)4-11-8(14)6(12-9(15)18-2)5-20-10(16)19-3/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15)
InChIKey AHQDFOMGFRJRET-UHFFFAOYSA-N
Mol Weight 308.31 g/mol
Molecular Formula C10H16N2O7S
Exact Mass 308.067822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2xfhMKkON6Y
Name cys-gly, N, S-di(Methoxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.067822030 u
Formula C10H16N2O7S
InChI InChI=1S/C10H16N2O7S/c1-17-7(13)4-11-8(14)6(12-9(15)18-2)5-20-10(16)19-3/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15)
InChIKey AHQDFOMGFRJRET-UHFFFAOYSA-N
Molecular Weight 308.305 g/mol
SMILES C(C(NC(OC)=O)CSC(OC)=O)(=O)NCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97857