| SpectraBase Spectrum ID |
CQ7qlVSPLkD |
| Name |
Methyl 4-(N-(furan-2-ylmethyl)-N-(phenylethynyl)sulfamoyl)benzoate |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.082743820 u |
| Formula |
C21H17NO5S |
| InChI |
InChI=1S/C21H17NO5S/c1-26-21(23)19-7-9-20(10-8-19)28(24,25)22(15-18-12-14-27-16-18)13-11-17-5-3-2-4-6-17/h2-10,12,14,16H,15H2,1H3 |
| InChIKey |
SNJDNIJTQFNJKQ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
395.429 g/mol |
| Quality |
105 |
| Reported Formula |
C21H17NO5(32)S |
| SMILES |
C(N(CC1=COC=C1)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#CC1=CC=CC=C1 |
| SPLASH |
splash10-000t-9853000000-9cde8490418d175f2a6a |
| Source of Spectrum |
ACI-55-SM18-22 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.38 (cHex/EtOAc, 3:1) |
| Wiley ID |
1895163 |
