| SpectraBase Spectrum ID |
LltqCJxozF9 |
| Name |
(6R*,7S*)-2,6-Dimethyl-6-ethenyltridec-2-en-8-yn-7-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.214015521 u |
| Formula |
C17H28O |
| InChI |
InChI=1S/C17H28O/c1-6-8-9-10-13-16(18)17(5,7-2)14-11-12-15(3)4/h7,12,16,18H,2,6,8-9,11,14H2,1,3-5H3/t16-,17+/m1/s1 |
| InChIKey |
OCUCWLYCUPKZJT-SJORKVTESA-N |
| Molecular Weight |
248.410 g/mol |
| SMILES |
C(#CCCCC)[C@]([C@@](C=C)(CCC=C(C)C)C)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971886 |
