| SpectraBase Spectrum ID |
I8FHodOAB3A |
| Name |
Methyl (E)-4-(N-(2-cyclohexyl-3-(oct-1-en-1-yl)quinolin-4-yl)-N-(4-methylbenzyl)sulfamoyl)benzoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
638.317829139 u |
| Formula |
C39H46N2O4S |
| InChI |
InChI=1S/C39H46N2O4S/c1-4-5-6-7-8-12-18-35-37(31-15-10-9-11-16-31)40-36-19-14-13-17-34(36)38(35)41(28-30-22-20-29(2)21-23-30)46(43,44)33-26-24-32(25-27-33)39(42)45-3/h12-14,17-27,31H,4-11,15-16,28H2,1-3H3/b18-12+ |
| InChIKey |
CXXOQBMAMMHXKA-LDADJPATSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
638.867 g/mol |
| Quality |
39 |
| Reported Formula |
C39H46N2O4(32)S |
| SMILES |
C1(N(CC2=CC=C(C=C2)C)S(C2=CC=C(C=C2)C(=O)OC)(=O)=O)=C(C(=NC2=C1C=CC=C2)C1CCCCC1)\C=C\CCCCCC |
| SPLASH |
splash10-000i-0100900000-e23436c490a381dbc0af |
| Source of Spectrum |
ACI-55-SM41-56 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.20 (cHex/EtOAc, 10:1) |
| Wiley ID |
1895182 |
