| SpectraBase Spectrum ID |
BeIHaAeHBej |
| Name |
Spiro[bicyclo[4.1.0]heptane-2,2'-[6]oxabicyclo[3.1.0]hexane]-5'-metha nol, 3,7,7-trimethyl-, [1R-[1.alpha.,2.beta.(1'R*,5'R*),3.beta.,6.alpha.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-9-4-5-10-11(13(10,2)3)15(9)7-6-14(8-16)12(15)17-14/h9-12,16H,4-8H2,1-3H3/t9-,10+,11+,12+,14+,15+/m0/s1 |
| InChIKey |
AGVNJKKKBZWGEM-RWBGOSSDSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@]12([C@@](CC[C@@]11[C@]3(C(C)(C)[C@]3([H])CC[C@@]1(C)[H])[H])(CO)O2)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912016 |
![Spiro[bicyclo[4.1.0]heptane-2,2'-[6]oxabicyclo[3.1.0]hexane]-5'-metha nol, 3,7,7-trimethyl-, [1R-[1.alpha.,2.beta.(1'R*,5'R*),3.beta.,6.alpha.]]-](/api/spectrum/BeIHaAeHBej/structure.png?h=300&w=458 "Spiro[bicyclo[4.1.0]heptane-2,2'-[6]oxabicyclo[3.1.0]hexane]-5'-metha nol, 3,7,7-trimethyl-, [1R-[1.alpha.,2.beta.(1'R*,5'R*),3.beta.,6.alpha.]]-")
