| SpectraBase Spectrum ID |
D5WWe606qwk |
| Name |
2-Oxabicyclo[2.2.2]octane, 3-(chloromethyl)-1,3-dimethyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.096792866 u |
| Formula |
C10H17ClO |
| InChI |
InChI=1S/C10H17ClO/c1-9-5-3-8(4-6-9)10(2,7-11)12-9/h8H,3-7H2,1-2H3 |
| InChIKey |
VIQDLJCQYPYJKR-UHFFFAOYSA-N |
| Molecular Weight |
188.698 g/mol |
| SMILES |
C1(OC2(CCC1CC2)C)(CCl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965052 |
![2-Oxabicyclo[2.2.2]octane, 3-(chloromethyl)-1,3-dimethyl-, (.+-.)-](/api/spectrum/D5WWe606qwk/structure.png?h=300&w=458 "2-Oxabicyclo[2.2.2]octane, 3-(chloromethyl)-1,3-dimethyl-, (.+-.)-")
