| SpectraBase Spectrum ID |
FYPbNQNi1Ls |
| Name |
Carbamic acid, [4-[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethenyl]thio]methyl]-2,5 -dihydro-2-oxo-3-furanyl]-, phenyl ester, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.119857604 u |
| Formula |
C19H22N2O6S |
| InChI |
InChI=1S/C19H22N2O6S/c1-19(2,3)27-17(23)20-9-10-28-12-13-11-25-16(22)15(13)21-18(24)26-14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)/b10-9+ |
| InChIKey |
YHULCMLBZXNCAL-MDZDMXLPSA-N |
| Molecular Weight |
406.453 g/mol |
| SMILES |
C1(=C(COC1=O)CS\C=C\NC(OC(C)(C)C)=O)NC(OC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826494 |
![Carbamic acid, [4-[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethenyl]thio]methyl]-2,5 -dihydro-2-oxo-3-furanyl]-, phenyl ester, (E)-](/api/spectrum/FYPbNQNi1Ls/structure.png?h=300&w=458 "Carbamic acid, [4-[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethenyl]thio]methyl]-2,5 -dihydro-2-oxo-3-furanyl]-, phenyl ester, (E)-")
