| SpectraBase Spectrum ID |
65UZmCprT3C |
| Name |
(S)-(+)-1-(4'-Bromophenyl)-4-(n-butyl)hexa-4,5-dien-1-yn-3-ol |
| Alternate Name(s) |
(3S)-1-(4-bromophenyl)-4-butyl-4,5-hexadien-1-yn-3-ol
(3S)-1-(4-bromophenyl)-4-ethenylidene-1-octyn-3-ol
(3S)-1-(4-bromophenyl)-4-ethenylideneoct-1-yn-3-ol
(3S)-1-(4-bromophenyl)-4-vinylidene-oct-1-yn-3-ol
(3S)-1-(4-bromophenyl)-4-ethenylidene-oct-1-yn-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17BrO |
| InChI |
InChI=1S/C16H17BrO/c1-3-5-6-14(4-2)16(18)12-9-13-7-10-15(17)11-8-13/h7-8,10-11,16,18H,2-3,5-6H2,1H3/t16-/m0/s1 |
| InChIKey |
YGRNLXPJEORUSL-INIZCTEOSA-N |
| Molecular Weight |
305.215 g/mol |
| SMILES |
O[C@](C(=C=C)CCCC)(C#Cc1ccc(cc1)Br)[H] |
| SPLASH |
splash10-0a4i-0090000000-5f1252382d45220da53c |
| Source of Spectrum |
KD-14-3664-3 |
| Wiley ID |
1636481 |
