| SpectraBase Spectrum ID |
GypQRqC1Y3f |
| Name |
4-Methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)-2-hexyne-1,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-13-7-5-9-15(2,3)14(13)8-11-16(4,18)10-6-12-17/h17-18H,5,7-9,11-12H2,1-4H3 |
| InChIKey |
QZXCTSQGPASGCF-UHFFFAOYSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C1(=C(CCCC1(C)C)C)CCC(C#CCO)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964944 |
