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#32;METHYL-2,16,17-TRICHLOROUNDECACYCLO-[9.9.0.0-(2,9).0-(3,7).0-(4,20).0-(5,18).0-(6,16).0-(8,15).0-(10,14).0-(12,19).0-(13,17)]-ICOSANE-1-CARBOXYLATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#32;METHYL-2,16,17-TRICHLOROUNDECACYCLO-[9.9.0.0-(2,9).0-(3,7).0-(4,20).0-(5,18).0-(6,16).0-(8,15).0-(10,14).0-(12,19).0-(13,17)]-ICOSANE-1-CARBOXYLATE
SpectraBase Compound ID 8DiV0LDAG7i
InChI InChI=1S/C22H19Cl3O2/c1-27-18(26)19-10-2-3-11(19)5-7-15(3)21(24)14(2)6-4(10)12-8-9(13(5)20(12,19)23)17(7)22(21,25)16(6)8/h2-17H,1H3
InChIKey OVWPZKRLKRTEOB-UHFFFAOYSA-N
Mol Weight 421.75 g/mol
Molecular Formula C22H19Cl3O2
Exact Mass 420.045063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kgmhqSBWBV
Name Methyl 2,16,17-Trichloroundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1-carboxylate
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Formula C22H19Cl3O2
InChI InChI=1S/C22H19Cl3O2/c1-27-18(26)19-10-2-3-11(19)5-7-15(3)21(24)14(2)6-4(10)12-8-9(13(5)20(12,19)23)17(7)22(21,25)16(6)8/h2-17H,1H3
InChIKey OVWPZKRLKRTEOB-UHFFFAOYSA-N
Molecular Weight 421.751 g/mol
SMILES C12(C3(C4C5C6C3C3C1C1C7C8(C(Cl)(C5C5C4C2C1C85)C6C37)Cl)Cl)C(=O)OC
SPLASH splash10-00o3-0539100000-6958904362cb6f0e89ff
Source of Spectrum J-66-5754-32
Wiley ID 1535659