| SpectraBase Spectrum ID |
tv4qB44u4L |
| Name |
(1R,2S,4R,6S)-2-Hydroxymethyl-1-methyl-4-(methylethenyl)-7-oxabicyclo[4.1.0]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-7(2)8-4-9(6-12)11(3)10(5-8)13-11/h8-10,12H,1,4-6H2,2-3H3/t8-,9+,10+,11-/m1/s1 |
| InChIKey |
QEXVCGIBLYGRRP-VPOLOUISSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
[C@]12(O[C@]2(C[C@@](C[C@]1(CO)[H])(C(=C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975252 |
![(1R,2S,4R,6S)-2-Hydroxymethyl-1-methyl-4-(methylethenyl)-7-oxabicyclo[4.1.0]heptane](/api/spectrum/tv4qB44u4L/structure.png?h=300&w=458 "(1R,2S,4R,6S)-2-Hydroxymethyl-1-methyl-4-(methylethenyl)-7-oxabicyclo[4.1.0]heptane")
