| SpectraBase Spectrum ID |
Fhmb4xG9AXi |
| Name |
(+/-)-(1S*,4R*,5S*)-5-(2'-hydroxyethyl)-bicyclo-[2.2.1]-hept-2-en-7-one-dimethylketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.125594437 u |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-13-11(14-2)9-3-4-10(11)8(7-9)5-6-12/h3-4,8-10,12H,5-7H2,1-2H3/t8-,9+,10-/m0/s1 |
| InChIKey |
KGBOCAVWNPQBMS-AEJSXWLSSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
C1(OC)([C@]2(C=C[C@@]1(C[C@@]2(CCO)[H])[H])[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900102 |
![(+/-)-(1S*,4R*,5S*)-5-(2'-hydroxyethyl)-bicyclo-[2.2.1]-hept-2-en-7-one-dimethylketal](/api/spectrum/Fhmb4xG9AXi/structure.png?h=300&w=458 "(+/-)-(1S*,4R*,5S*)-5-(2'-hydroxyethyl)-bicyclo-[2.2.1]-hept-2-en-7-one-dimethylketal")
