| SpectraBase Spectrum ID |
81aSvuCoGye |
| Name |
N-[Acetyl(thiocarbamoyl)]-N-(2,6-xylyl)glycine, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.150763812 u |
| Formula |
C17H24N2O3S |
| InChI |
InChI=1S/C17H24N2O3S/c1-11-8-7-9-12(2)15(11)19(16(23)18-13(3)20)10-14(21)22-17(4,5)6/h7-9H,10H2,1-6H3,(H,18,20,23) |
| InChIKey |
ZEMFSXQSZVSHFR-UHFFFAOYSA-N |
| Molecular Weight |
336.450 g/mol |
| SMILES |
N(C(C)=O)C(N(C=1C(=CC=CC1C)C)CC(OC(C)(C)C)=O)=S |
| Spectrum/Structure Validation Score (Raman) |
0.942313 |
![N-[acetyl(thiocarbamoyl)]-N-(2,6-xylyl)glycine, tert-butyl ester](/api/spectrum/81aSvuCoGye/structure.png?h=300&w=458 "N-[acetyl(thiocarbamoyl)]-N-(2,6-xylyl)glycine, tert-butyl ester")
