| SpectraBase Spectrum ID |
6RjNFwfiyOy |
| Name |
Benzoic acid (1S,6S)-2-(2-bromo-ethyl)-6-(tert-butyl-dimethyl-silanyloxy)-cyclohex-2-enyl ester |
| Alternate Name(s) |
(3S,4S)-3-Benzoyloxy-4-tert-butyldimethylsilyloxy-2-(bromoethyl)cyclohexene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31BrO3Si |
| InChI |
InChI=1S/C21H31BrO3Si/c1-21(2,3)26(4,5)25-18-13-9-12-16(14-15-22)19(18)24-20(23)17-10-7-6-8-11-17/h6-8,10-12,18-19H,9,13-15H2,1-5H3/t18-,19-/m0/s1 |
| InChIKey |
BRCPJFOWTPMJCQ-OALUTQOASA-N |
| Molecular Weight |
439.465 g/mol |
| SMILES |
[C@]1(OC(=O)c2ccccc2)([C@@](O[Si](C(C)(C)C)(C)C)(CCC=C1CCBr)[H])[H] |
| SPLASH |
splash10-0a4i-0009200000-f954cfcb833bbc019376 |
| Source of Spectrum |
SO-0-675-51 |
| Wiley ID |
875428 |
