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 |