| SpectraBase Spectrum ID |
H1X0KqI5dv4 |
| Name |
2-Hydroxy-2-[4-(tetrahydro-pyran-2-yloxy)-but-1-ynyl]-cycloheptanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c17-14-8-2-1-4-10-16(14,18)11-5-7-13-20-15-9-3-6-12-19-15/h15,18H,1-4,6-10,12-13H2 |
| InChIKey |
DRCDMSAXGBVINA-UHFFFAOYSA-N |
| SMILES |
C1CCCC(C(C1)=O)(C#CCCOC1CCCCO1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962462 |
![2-Hydroxy-2-[4-(tetrahydro-pyran-2-yloxy)-but-1-ynyl]-cycloheptanone](/api/spectrum/H1X0KqI5dv4/structure.png?h=300&w=458 "2-Hydroxy-2-[4-(tetrahydro-pyran-2-yloxy)-but-1-ynyl]-cycloheptanone")
