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N,S-di-(Isobutoxycarbonyl)cysteamine
SpectraBase Compound ID FKjCImYcy8D
InChI InChI=1S/C12H23NO4S/c1-9(2)7-16-11(14)13-5-6-18-12(15)17-8-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKey YARAJCUDOXSETF-UHFFFAOYSA-N
Mol Weight 277.38 g/mol
Molecular Formula C12H23NO4S
Exact Mass 277.134779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BEnrsMr1uRS
Name N,S-di-(Isobutoxycarbonyl)cysteamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.134779395 u
Formula C12H23NO4S
InChI InChI=1S/C12H23NO4S/c1-9(2)7-16-11(14)13-5-6-18-12(15)17-8-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKey YARAJCUDOXSETF-UHFFFAOYSA-N
Molecular Weight 277.379 g/mol
SMILES C(SCCNC(OCC(C)C)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964541