| SpectraBase Spectrum ID |
9F5ghfRqgJ2 |
| Name |
2-Cyanomethyl-3-nitrophenyl toluene-4-sulfonate |
| Alternate Name(s) |
2-(cyanomethyl)-3-nitrophenyl 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12N2O5S |
| InChI |
InChI=1S/C15H12N2O5S/c1-11-5-7-12(8-6-11)23(20,21)22-15-4-2-3-14(17(18)19)13(15)9-10-16/h2-8H,9H2,1H3 |
| InChIKey |
CMVBMRFWDJEDDM-UHFFFAOYSA-N |
| Molecular Weight |
332.330 g/mol |
| SMILES |
c1(ccc(cc1)S(=O)(=O)Oc1c(c(ccc1)N(=O)=O)CC#N)C |
| SPLASH |
splash10-0a4l-9801000000-61bb2cf19d02538767a7 |
| Source of Spectrum |
F-53-4747-11 |
| Wiley ID |
801395 |
