| SpectraBase Spectrum ID |
7EAShux3vYA |
| Name |
(2R*,3S*)-3-[(4'-Bromobenzoyl)oxy]-2-ethynyl-1-(p-toluenesulfonyl)piperidine |
| Alternate Name(s) |
(2R,3S)-2-ethynyl-1-[(4-methylphenyl)sulfonyl]piperidinyl 4-bromobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20BrNO4S |
| InChI |
InChI=1S/C21H20BrNO4S/c1-3-19-20(27-21(24)16-8-10-17(22)11-9-16)5-4-14-23(19)28(25,26)18-12-6-15(2)7-13-18/h1,6-13,19-20H,4-5,14H2,2H3/t19-,20+/m1/s1 |
| InChIKey |
XYEHTHLPSQKHHG-UXHICEINSA-N |
| Molecular Weight |
462.358 g/mol |
| SMILES |
[C@]1(N(S(c2ccc(cc2)C)(=O)=O)CCC[C@@]1(OC(c1ccc(cc1)Br)=O)[H])(C#C)[H] |
| SPLASH |
splash10-0buc-3953000000-e1b7c58abefdeae9cf78 |
| Source of Spectrum |
J-63-6286-20 |
| Wiley ID |
1390739 |
![(2R*,3S*)-3-[(4'-Bromobenzoyl)oxy]-2-ethynyl-1-(p-toluenesulfonyl)piperidine](/api/spectrum/7EAShux3vYA/structure.png?h=300&w=458 "(2R*,3S*)-3-[(4'-Bromobenzoyl)oxy]-2-ethynyl-1-(p-toluenesulfonyl)piperidine")
