| SpectraBase Spectrum ID |
CxMj9uDD9T6 |
| Name |
6-(3-Hydroxy-but-1-enyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-2-ol |
| 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)5-8-13-11(2,3)7-6-10(15)12(13,4)16-13/h5,8-10,14-15H,6-7H2,1-4H3/b8-5+ |
| InChIKey |
HAMYOLSEQPLFQQ-VMPITWQZSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C1(O)C2(C)C(\C=C\C(C)O)(O2)C(CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88185 |
![6-(3-Hydroxy-but-1-enyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-2-ol](/api/spectrum/CxMj9uDD9T6/structure.png?h=300&w=458 "6-(3-Hydroxy-but-1-enyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-2-ol")
