| SpectraBase Spectrum ID |
DDFR8rvIB1i |
| Name |
(1R,2S,4R,6S,7S)-4-(2'-Chloroethyl)-1,10,10-trimethyl-3,5-dioxatricyclo[3.2.1.0(2,6)]decane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.123007614 u |
| Formula |
C13H21ClO2 |
| InChI |
InChI=1S/C13H21ClO2/c1-12(2)8-4-6-13(12,3)11-10(8)15-9(16-11)5-7-14/h8-11H,4-7H2,1-3H3/t8-,9?,10-,11-,13+/m0/s1 |
| InChIKey |
SNHMGAFNGKMEGW-DKQSBRCMSA-N |
| Molecular Weight |
244.762 g/mol |
| SMILES |
[C@]12([C@@]3([C@@](OC(O3)CCCl)([C@@](C1(C)C)(CC2)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904091 |
![(1R,2S,4R,6S,7S)-4-(2'-Chloroethyl)-1,10,10-trimethyl-3,5-dioxatricyclo[3.2.1.0(2,6)]decane](/api/spectrum/DDFR8rvIB1i/structure.png?h=300&w=458 "(1R,2S,4R,6S,7S)-4-(2'-Chloroethyl)-1,10,10-trimethyl-3,5-dioxatricyclo[3.2.1.0(2,6)]decane")
