| SpectraBase Spectrum ID |
1kG8LaGNvxe |
| Name |
Diethylthiocarbamic acid, o-(3-nitro-p-tolyl)ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.088163554 u |
| Formula |
C12H16N2O3S |
| InChI |
InChI=1S/C12H16N2O3S/c1-4-13(5-2)12(18)17-10-7-6-9(3)11(8-10)14(15)16/h6-8H,4-5H2,1-3H3 |
| InChIKey |
DJDXGYMMPPLKDG-UHFFFAOYSA-N |
| Molecular Weight |
268.331 g/mol |
| SMILES |
N(=O)(=O)C=1C(=CC=C(C1)OC(N(CC)CC)=S)C |
| Spectrum/Structure Validation Score (Raman) |
0.79136 |
