| SpectraBase Spectrum ID |
9AH6RFMsvET |
| Name |
Methyl 4-(N-(4-(tert-butyl)benzyl)-N-ethynylsulfamoyl)benzoate |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.134779395 u |
| Formula |
C21H23NO4S |
| InChI |
InChI=1S/C21H23NO4S/c1-6-22(15-16-7-11-18(12-8-16)21(2,3)4)27(24,25)19-13-9-17(10-14-19)20(23)26-5/h1,7-14H,15H2,2-5H3 |
| InChIKey |
DWOUMEYCKKSYPD-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
385.478 g/mol |
| Quality |
25 |
| Reported Formula |
C21H23NO4(32)S |
| SMILES |
C(N(CC1=CC=C(C=C1)C(C)(C)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#C |
| SPLASH |
splash10-0002-0900000000-631f343b41fc65ac6a0f |
| Source of Spectrum |
ACI-55-SM10-9 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.22 (cHex/EtOAc, 10:1) |
| Wiley ID |
1895191 |
