| SpectraBase Spectrum ID |
LR3gjyS4Hzs |
| Name |
Methyl (E)-4-(N-(dec-3-en-1-yn-1-yl)-N-(4-methylbenzyl)sulfamoyl)benzoate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.197379652 u |
| Formula |
C26H31NO4S |
| InChI |
InChI=1S/C26H31NO4S/c1-4-5-6-7-8-9-10-11-20-27(21-23-14-12-22(2)13-15-23)32(29,30)25-18-16-24(17-19-25)26(28)31-3/h9-10,12-19H,4-8,21H2,1-3H3/b10-9+ |
| InChIKey |
PSBMSDKFKFYGBT-MDZDMXLPSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
453.597 g/mol |
| Quality |
61 |
| Reported Formula |
C26H31NO4(32)S |
| SMILES |
C(N(CC1=CC=C(C=C1)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#C\C=C\CCCCCC |
| SPLASH |
splash10-0a4i-0920100000-443d0cbaee1d4f0f926b |
| Source of Spectrum |
ACI-55-SM20-25 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.24 (cHex/EtOAc, 10:1) |
| Wiley ID |
1895166 |
