| SpectraBase Spectrum ID |
EfG9SELgwCo |
| Name |
7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+ |
| InChIKey |
BVNCCXWAZAZQNM-AATRIKPKSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C12(\C=C\C(C)O)C(C)(CC(CC2(C)C)O)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954104 |
![7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-](/api/spectrum/EfG9SELgwCo/structure.png?h=300&w=458 "7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-")
