| SpectraBase Spectrum ID |
I2kSnay2P15 |
| Name |
5,7-Decadien-3-ine, 2,9-dihydroxy-5-(1-hydroxy-1-methylethyl)-2,9-dimethyl-, (Z,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-13(2,16)10-7-8-12(15(5,6)18)9-11-14(3,4)17/h7-8,10,16-18H,1-6H3/b10-7+,12-8- |
| InChIKey |
SVJPHTBNOANREV-NFZZJPOKSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
OC(\C=C\C=C/(C(C)(C)O)C#CC(C)(C)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979331 |
