| SpectraBase Spectrum ID |
BLrMsGeFq72 |
| Name |
(1'rs,4'sr,6'sr,7'rs,9'sr)-7',8'-Diethoxydispiro{cyclopropane-1,2'-[5,10]dioxatricyclo[7.1.0.0(4,6)]undecan-3',1'-cyclopropane} |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c1-3-17-9-10(18-4-2)12-14(20-12)16(7-8-16)15(5-6-15)13-11(9)19-13/h9-14H,3-8H2,1-2H3/t9-,10+,11+,12-,13+,14- |
| InChIKey |
JPKOFGOLDNHDER-KXSLGULGSA-N |
| SMILES |
C12(C3([C@]4([C@](O4)([C@]([C@]([C@]4([C@@]1(O4)[H])[H])(OCC)[H])(OCC)[H])[H])[H])CC3)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881507 |
![(1'rs,4'sr,6'sr,7'rs,9'sr)-7',8'-Diethoxydispiro{cyclopropane-1,2'-[5,10]dioxatricyclo[7.1.0.0(4,6)]undecan-3',1'-cyclopropane}](/api/spectrum/BLrMsGeFq72/structure.png?h=300&w=458 "(1'rs,4'sr,6'sr,7'rs,9'sr)-7',8'-Diethoxydispiro{cyclopropane-1,2'-[5,10]dioxatricyclo[7.1.0.0(4,6)]undecan-3',1'-cyclopropane}")
