| SpectraBase Spectrum ID |
3SWFgsgv40f |
| Name |
1-Isothiocyanato-3-nitrobenzene |
| Alternate Name(s) |
3-Nitrophenyl isothiocyanate
Benzene, 1-isothiocyanato-3-nitro-
Isothiocyanic acid, m-nitrophenyl ester
m-Nitrophenyl isothiocyanate
BRN 2094061 |
| CAS Registry Number |
3529-82-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H4N2O2S |
| InChI |
InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H |
| InChIKey |
OEZXLKSZOAWNJU-UHFFFAOYSA-N |
| Molecular Weight |
180.181 g/mol |
| SMILES |
c1cc(cc(c1)N(=O)=O)N=C=S |
| SPLASH |
splash10-001i-8900000000-7126f1d4ac125852fab0 |
| Source of Spectrum |
W6-12880-0-0 |
| Wiley ID |
88352 |
