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13-DEMETHYLISODYSIDENIN;5,5,5-TRICHLORO-4-METHYL-2-[METHYL-(4,44-TRICHLORO-3-METHYL-1-OXOBUTYL)-AMINO]-N-(THIAZOL-2-YL-METHYL)-PENTANAMIDE

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13-DEMETHYLISODYSIDENIN;5,5,5-TRICHLORO-4-METHYL-2-[METHYL-(4,44-TRICHLORO-3-METHYL-1-OXOBUTYL)-AMINO]-N-(THIAZOL-2-YL-METHYL)-PENTANAMIDE
SpectraBase Compound ID 28STEMMA45j
InChI InChI=1S/C16H21Cl6N3O2S/c1-9(15(17,18)19)6-11(14(27)24-8-12-23-4-5-28-12)25(3)13(26)7-10(2)16(20,21)22/h4-5,9-11H,6-8H2,1-3H3,(H,24,27)/t9-,10+,11-/m0/s1
InChIKey KDAYUPCSRRZKKN-AXFHLTTASA-N
Mol Weight 532.1 g/mol
Molecular Formula C16H21Cl6N3O2S
Exact Mass 528.948564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60qSkjDGxS3
Name 13-DEMETHYLISODYSIDENIN;5,5,5-TRICHLORO-4-METHYL-2-[METHYL-(4,44-TRICHLORO-3-METHYL-1-OXOBUTYL)-AMINO]-N-(THIAZOL-2-YL-METHYL)-PENTANAMIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21Cl6N3O2S
InChI InChI=1S/C16H21Cl6N3O2S/c1-9(15(17,18)19)6-11(14(27)24-8-12-23-4-5-28-12)25(3)13(26)7-10(2)16(20,21)22/h4-5,9-11H,6-8H2,1-3H3,(H,24,27)/t9-,10+,11-/m0/s1
InChIKey KDAYUPCSRRZKKN-AXFHLTTASA-N
Literature Reference Author E.J.DUMDEI,J.S.SIMPSON,M.J.GARSON,K.A.BYRIEL,C.H.L.KENNARD
Literature Reference Citation AUSTR.J.CHEM.,50,139(1997)
Literature Reference DOI 10.1071/C96111
Molecular Weight 532.140 g/mol
Solvent Unknown
Source File Reference UWCS16412