| SpectraBase Spectrum ID |
aYhaMGlH6 |
| Name |
2-Butanol, 3-methyl-3-nitro-, 4-methylbenzenesulfonate (ester) |
| CAS Registry Number |
54523-01-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17NO5S |
| InChI |
InChI=1S/C12H17NO5S/c1-9-5-7-11(8-6-9)19(16,17)18-10(2)12(3,4)13(14)15/h5-8,10H,1-4H3 |
| InChIKey |
UIQOEOVINZVNTR-UHFFFAOYSA-N |
| Molecular Weight |
287.330 g/mol |
| SMILES |
C(OS(c1ccc(cc1)C)(=O)=O)(C(N(=O)=O)(C)C)C |
| SPLASH |
splash10-052f-9520000000-16517cd400e740e33f8e |
| Source of Spectrum |
KC-1976-2030-0 |
| Synonyms |
1,2-Dimethyl-2-nitropropyl 4-methylbenzenesulfonate
3-Methyl-3-nitro-2-butyl toluene-p-sulphonate |
| Wiley ID |
1290624 |
