| SpectraBase Spectrum ID |
vr4TMl2HsS |
| Name |
(2S*,8S*)-2-(6-Hydroxyhex-2-ynyl)-8-pentyloxocane |
| Alternate Name(s) |
6-[(2S,8S)-8-pentyloxocanyl]-4-hexyn-1-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H32O2 |
| InChI |
InChI=1S/C18H32O2/c1-2-3-7-12-17-14-9-6-10-15-18(20-17)13-8-4-5-11-16-19/h17-19H,2-3,5-7,9-16H2,1H3/t17-,18+/m0/s1 |
| InChIKey |
NDTKDBBLMXZIHH-ZWKOTPCHSA-N |
| Molecular Weight |
280.452 g/mol |
| SMILES |
OCCCC#CC[C@]1(O[C@@](CCCCC)(CCCCC1)[H])[H] |
| SPLASH |
splash10-0002-9300000000-39e435646170dfdec902 |
| Source of Spectrum |
KC-0-99-13 |
| Wiley ID |
775842 |
