| SpectraBase Spectrum ID |
Avh9J5oM3aD |
| Name |
bis[2-Carbomethoxy-4-nitrophenyl]sulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.031436520 u |
| Formula |
C16H12N2O8S |
| InChI |
InChI=1S/C16H12N2O8S/c1-25-15(19)11-7-9(17(21)22)3-5-13(11)27-14-6-4-10(18(23)24)8-12(14)16(20)26-2/h3-8H,1-2H3 |
| InChIKey |
MYDNAPSDMMQASO-UHFFFAOYSA-N |
| Molecular Weight |
392.338 g/mol |
| SMILES |
C1=C(C(C(=O)OC)=CC(=C1)N(=O)=O)SC1=CC=C(N(=O)=O)C=C1C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823152 |