| SpectraBase Spectrum ID |
58k9F4apgOI |
| Name |
(2S*,8S*)-2-(5-Carboxypent-2-ynyl)-8-pentyloxocane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H30O3 |
| InChI |
InChI=1S/C18H30O3/c1-2-3-6-11-16-12-7-4-8-13-17(21-16)14-9-5-10-15-18(19)20/h16-17H,2-4,6-8,10-15H2,1H3,(H,19,20)/t16-,17-/m0/s1 |
| InChIKey |
MCLDNODFLUMNIR-IRXDYDNUSA-N |
| Molecular Weight |
294.435 g/mol |
| SMILES |
OC(CCC#CC[C@]1(O[C@@](CCCCC)(CCCCC1)[H])[H])=O |
| SPLASH |
splash10-0a4i-9000000000-b44506aec4845b0e41d9 |
| Source of Spectrum |
KC-0-99-14 |
| Synonyms |
6-[(2S,8S)-8-pentyloxocanyl]-4-hexynoic acid |
| Wiley ID |
775841 |
