| SpectraBase Spectrum ID |
DvdzALZTCmG |
| Name |
2-Chloroethyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15ClN2O3S |
| InChI |
InChI=1S/C13H15ClN2O3S/c1-10-13(20(17,18)19-9-8-14)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3 |
| InChIKey |
UFZDBWFKXQYXQS-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5975N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201612565 |
| Molecular Weight |
314.787 g/mol |
| Quality |
34 |
| Reported Formula |
C13H15ClN2O3S |
| SMILES |
C=1(S(OCCCl)(=O)=O)C(=NN(C1C)C1=CC=CC=C1)C |
| SPLASH |
splash10-0002-0900000000-104d1431df4d4ff2c0a9 |
| Source of Spectrum |
ACI-56-SM38-6a (DOI: 10.1002/anie.201612565) |
| Wiley ID |
1895567 |
