| SpectraBase Spectrum ID |
58Iqz4QbmJj |
| Name |
Phenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.088163554 u |
| Formula |
C17H16N2O3S |
| InChI |
InChI=1S/C17H16N2O3S/c1-13-17(23(20,21)22-16-11-7-4-8-12-16)14(2)19(18-13)15-9-5-3-6-10-15/h3-12H,1-2H3 |
| InChIKey |
HJSVPNMXDPYAAV-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5975N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201612565 |
| Molecular Weight |
328.386 g/mol |
| Quality |
121 |
| Reported Formula |
C17H16N2O3S |
| SMILES |
C=1(S(OC2=CC=CC=C2)(=O)=O)C(=NN(C1C)C1=CC=CC=C1)C |
| SPLASH |
splash10-000i-2392000000-0785bef6ec96e20e3fa4 |
| Source of Spectrum |
ACI-56-SM39-6c (DOI: 10.1002/anie.201612565) |
| Wiley ID |
1895569 |
