| SpectraBase Spectrum ID |
9bChgbIZ0bj |
| Name |
(S)-(+)-1-(4'-Cyanophenyl)-4-(n-butyl)hexa-4,5-dien-1-yn-3-ol |
| Alternate Name(s) |
4-[(3S)-4-butyl-3-hydroxy-4,5-hexadien-1-ynyl]benzonitrile
4-[(3S)-4-ethenylidene-3-hydroxyoct-1-ynyl]benzonitrile
4-[(3S)-3-hydroxy-4-vinylidene-oct-1-ynyl]benzonitrile
4-[(3S)-4-ethenylidene-3-oxidanyl-oct-1-ynyl]benzenecarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17NO |
| InChI |
InChI=1S/C17H17NO/c1-3-5-6-16(4-2)17(19)12-11-14-7-9-15(13-18)10-8-14/h7-10,17,19H,2-3,5-6H2,1H3/t17-/m0/s1 |
| InChIKey |
WJPMCYXVQOHUPF-KRWDZBQOSA-N |
| Molecular Weight |
251.329 g/mol |
| SMILES |
O[C@](C(=C=C)CCCC)(C#Cc1ccc(C#N)cc1)[H] |
| SPLASH |
splash10-0a4i-0900000000-2b5bb0c43a29a1537cda |
| Source of Spectrum |
KD-14-3664-3 |
| Wiley ID |
1636480 |
