| SpectraBase Spectrum ID |
FZ51AmX9kyh |
| Name |
Methyl 4-(N-(4-methylbenzyl)-N-(phenylethynyl)sulfamoyl)benzoate |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.119129330 u |
| Formula |
C24H21NO4S |
| InChI |
InChI=1S/C24H21NO4S/c1-19-8-10-21(11-9-19)18-25(17-16-20-6-4-3-5-7-20)30(27,28)23-14-12-22(13-15-23)24(26)29-2/h3-15H,18H2,1-2H3 |
| InChIKey |
BJWIPTDRPYBXDD-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
419.495 g/mol |
| Quality |
56 |
| Reported Formula |
C24H21NO6(32)S |
| SMILES |
C(N(CC1=CC=C(C=C1)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#CC1=CC=CC=C1 |
| SPLASH |
splash10-0a4i-0940200000-945b16cf047e5bef0671 |
| Source of Spectrum |
ACI-55-SM7-4 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.15 (cHex/EtOAc, 10:1) |
| Wiley ID |
1895178 |
