| SpectraBase Spectrum ID |
C4FMKP4o8hM |
| Name |
(Ra)-N-(3-(4-bromophenyl)prop-2-ynyl)-N-(2,3-heptadienyl)p-tosylamide |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.071113189 u |
| Formula |
C23H24BrNO2S |
| InChI |
InChI=1S/C23H24BrNO2S/c1-3-4-5-6-7-18-25(19-8-9-21-12-14-22(24)15-13-21)28(26,27)23-16-10-20(2)11-17-23/h5,7,10-17H,3-4,18-19H2,1-2H3 |
| InChIKey |
DRYWCRBIWBYYEN-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900963 |
| Molecular Weight |
458.414 g/mol |
| Optical Rotation |
[a]D26.1 = -71.82 (c = 0.995, CHCl3) |
| Reported Formula |
C23H24NO2S(79)Br |
| SMILES |
C(C#CC1=CC=C(C=C1)Br)N(CC=C=CCCC)S(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-0006-0900000000-350ea89d2f0b7c092300 |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-25-SM6-(Ra)-1c (DOI: 10.1002/chem.201900963) |
| Wiley ID |
1893831 |
