| SpectraBase Compound ID | FetlPyv9pzd |
|---|---|
| InChI | InChI=1S/C17H12Cl10O4/c1-2-31-7(29)4-3-6(28)5-8(30)9(18)11(20)13(22)10(8,19)14(23)12(9,21)15(11,24)17(26,27)16(13,14)25/h30H,2-5H2,1H3 |
| InChIKey | POSKOXIJDWDKPH-UHFFFAOYSA-N |
| Mol Weight | 634.8 g/mol |
| Molecular Formula | C17H12Cl10O4 |
| Exact Mass | 629.762086 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4VPJUGicVMp |
|---|---|
| Name | KELEVANE |
| CAS Registry Number | 4234-79-1 |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass | 629.762085862 u |
| Formula | C17H12Cl10O4 |
| InChI | InChI=1S/C17H12Cl10O4/c1-2-31-7(29)4-3-6(28)5-8(30)9(18)11(20)13(22)10(8,19)14(23)12(9,21)15(11,24)17(26,27)16(13,14)25/h30H,2-5H2,1H3 |
| InChIKey | POSKOXIJDWDKPH-UHFFFAOYSA-N |
| Molecular Weight | 634.809 g/mol |
| Nominal Mass | 630 u |
| Number of Peaks | 194 |
| SMILES | OC1(CC(CCC(OCC)=O)=O)C2(C3(C4(C1(C1(C2(C3(C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| SPLASH | splash10-0udi-3931000000-b7ed3487b6d879e703d9 |
| Source of Spectrum | Dr. Rolf Kuehnle |
| Synonyms | ethyl 5-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxypentacyclo[5.3.0.0~2,6~.0~3,9~.0~4,8~]dec-5-yl)-4-oxopentanoate ethyl 5-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxypentacyclo[5.3.0.0~2,6.0~3,9.0~4,8]dec-5-yl)-4-oxovalerate ethyl 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-?-oxo-1,3,4-metheno-1H-cyclobuta[cd]pentalene-2-pentanoate |
| Technique | GC/MS |
| Wiley ID | WID_MSPA_3500 |