| SpectraBase Spectrum ID |
1VLWBh4lpuL |
| Name |
Methyl 4-(N-(cyclopropylethynyl)-N-(4-methylbenzyl)sulfamoyl)benzoate |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.119129330 u |
| Formula |
C21H21NO4S |
| InChI |
InChI=1S/C21H21NO4S/c1-16-3-5-18(6-4-16)15-22(14-13-17-7-8-17)27(24,25)20-11-9-19(10-12-20)21(23)26-2/h3-6,9-12,17H,7-8,15H2,1-2H3 |
| InChIKey |
ALUXUXTUBOHATQ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
383.462 g/mol |
| Quality |
67 |
| Reported Formula |
C21H21NO4(32)S |
| SMILES |
C(N(CC1=CC=C(C=C1)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#CC1CC1 |
| SPLASH |
splash10-0a4i-0901000000-ee0f0b38735ec9fb8d53 |
| Source of Spectrum |
ACI-55-SM18-23 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.20 (cHex/EtOAc, 10:1) |
| Wiley ID |
1895164 |
