| SpectraBase Spectrum ID |
4JiyBwjNdCD |
| Name |
3-Cyanomethyl-2-nitrophenyl toluene-4-sulfonate |
| Alternate Name(s) |
3-(cyanomethyl)-2-nitrophenyl 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12N2O5S |
| InChI |
InChI=1S/C15H12N2O5S/c1-11-5-7-13(8-6-11)23(20,21)22-14-4-2-3-12(9-10-16)15(14)17(18)19/h2-8H,9H2,1H3 |
| InChIKey |
SCILLVSZPQWPPS-UHFFFAOYSA-N |
| Molecular Weight |
332.330 g/mol |
| SMILES |
c1(ccc(cc1)S(=O)(=O)Oc1c(c(ccc1)CC#N)N(=O)=O)C |
| SPLASH |
splash10-0a4l-8910000000-fef3220f43811e2f16c0 |
| Source of Spectrum |
F-53-4746-7 |
| Wiley ID |
801403 |
