| SpectraBase Spectrum ID |
9uN13PjXdhe |
| Name |
(3R*,4S*)-4-Carbomethoxy-3-(1,3-hexadien-6-yl)-4-ethynylcyclohexan-1-one |
| Alternate Name(s) |
Methyl (1S,2R)-1-ethynyl-2-[(3E)-3,5-hexadienyl]-4-oxocyclohexanecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-4-6-7-8-9-13-12-14(17)10-11-16(13,5-2)15(18)19-3/h2,4,6-7,13H,1,8-12H2,3H3/b7-6+/t13-,16+/m1/s1 |
| InChIKey |
SVJDRJRFPUSLJH-BLRPHBDSSA-N |
| Molecular Weight |
260.333 g/mol |
| SMILES |
[C@]1(C#C)(C(=O)OC)[C@@](CC(CC1)=O)(CC\C=C\C=C)[H] |
| SPLASH |
splash10-0w4i-0290000000-6382cf136fb35dbec1a6 |
| Source of Spectrum |
J-60-851-38 |
| Wiley ID |
1264057 |
