| SpectraBase Spectrum ID |
6jFMSVwv9Rj |
| Name |
(rac)-, (R,R,R)- and (S,S,S)-8-Benzyl-2,7-dioxabicyclo[3.2.1]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-2-4-10(5-3-1)8-12-11-6-7-14-13(12)15-9-11/h1-5,11-13H,6-9H2/t11-,12?,13+/m1/s1 |
| InChIKey |
HRGQWKGOSXDVJU-YPHAAILGSA-N |
| Molecular Weight |
204.269 g/mol |
| SMILES |
C1O[C@@]2(C([C@](C1)(CO2)[H])CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903004 |
![(rac)-, (R,R,R)- and (S,S,S)-8-Benzyl-2,7-dioxabicyclo[3.2.1]octane](/api/spectrum/6jFMSVwv9Rj/structure.png?h=300&w=458 "(rac)-, (R,R,R)- and (S,S,S)-8-Benzyl-2,7-dioxabicyclo[3.2.1]octane")
