| SpectraBase Spectrum ID |
DRPiF4Z4LEC |
| Name |
[3-(1-Benzenesulfonyl-1H-imidazol-4-yl)prop-2-ynyl]carbamic acid tert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.109627274 u |
| Formula |
C17H19N3O4S |
| InChI |
InChI=1S/C17H19N3O4S/c1-17(2,3)24-16(21)18-11-7-8-14-12-20(13-19-14)25(22,23)15-9-5-4-6-10-15/h4-6,9-10,12-13H,11H2,1-3H3,(H,18,21) |
| InChIKey |
TWWQKRZWWKJILO-UHFFFAOYSA-N |
| Molecular Weight |
361.416 g/mol |
| SMILES |
C(NCC#CC=1N=CN(C1)S(=O)(=O)C=1C=CC=CC1)(=O)OC(C)(C)C |
![[3-(1-Benzenesulfonyl-1H-imidazol-4-yl)prop-2-ynyl]carbamic acid tert-butyl ester](/api/spectrum/DRPiF4Z4LEC/structure.png?h=300&w=458 "[3-(1-Benzenesulfonyl-1H-imidazol-4-yl)prop-2-ynyl]carbamic acid tert-butyl ester")
