| SpectraBase Spectrum ID |
BY1SXfy8yAs |
| Name |
(1S,2R)-1,9-Dimethyl-12-oxatetracyclo[7.2.1.0(2,7).0(2,8)]dodeca-3,10-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.120115134 u |
| Formula |
C13H16O |
| InChI |
InChI=1S/C13H16O/c1-11-7-8-12(2,14-11)13-6-4-3-5-9(13)10(11)13/h4,6-10H,3,5H2,1-2H3/t9?,10?,11?,12-,13+/m0/s1 |
| InChIKey |
CYUSKTMSNPRXAS-WGOGVWCBSA-N |
| Molecular Weight |
188.270 g/mol |
| SMILES |
[C@]123C(C4(C)O[C@]3(C=C4)C)C2CCC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972599 |
![(1S,2R)-1,9-dimethyl-12-oxatetracyclo[7.2.1.0(2,7).0(2,8)]dodeca-3,10-diene](/api/spectrum/BY1SXfy8yAs/structure.png?h=300&w=458 "(1S,2R)-1,9-dimethyl-12-oxatetracyclo[7.2.1.0(2,7).0(2,8)]dodeca-3,10-diene")
