| SpectraBase Spectrum ID |
4WarwOWTpWu |
| Name |
3,5-Methano-2H-cyclopenta[B]furan, 3A,5,6-trichloro-6A-ethoxyhexahydro-4,4-dimethoxy-, (3.alpha.,3A.beta.,5.beta.,6.alpha., 6A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.019242123 u |
| Formula |
C12H17Cl3O4 |
| InChI |
InChI=1S/C12H17Cl3O4/c1-4-18-11-8(13)9(14)5-7(6-19-11)10(11,15)12(9,16-2)17-3/h7-8H,4-6H2,1-3H3/t7-,8-,9-,10+,11-/m1/s1 |
| InChIKey |
GHHOBUSSRKXRLZ-MVCUBJFGSA-N |
| Molecular Weight |
331.623 g/mol |
| SMILES |
[C@]12([C@@]3(C(OC)(OC)[C@]([C@]2(Cl)[H])(C[C@]3([H])CO1)Cl)Cl)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867307 |
![3,5-Methano-2H-cyclopenta[b]furan, 3a,5,6-trichloro-6a-ethoxyhexahydro-4,4-dimethoxy-, (3.alpha.,3a.beta.,5.beta.,6.alpha., 6a.beta.)-(.+-.)-](/api/spectrum/4WarwOWTpWu/structure.png?h=300&w=458 "3,5-Methano-2H-cyclopenta[b]furan, 3a,5,6-trichloro-6a-ethoxyhexahydro-4,4-dimethoxy-, (3.alpha.,3a.beta.,5.beta.,6.alpha., 6a.beta.)-(.+-.)-")
