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(2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-3-chloropropan-1-oyl}-bornane-10,2-sultam
SpectraBase Compound ID 2F3vIQaQLIy
InChI InChI=1S/C16H25ClN2O3S3/c1-15(2)10-5-6-16(15)9-25(21,22)19(12(16)7-10)13(20)11(8-17)18-14(23-3)24-4/h10-12H,5-9H2,1-4H3/t10-,11+,12+,16-/m0/s1
InChIKey CCYCHEDHFWJMNU-LGSVPQMISA-N
Mol Weight 425.02 g/mol
Molecular Formula C16H25ClN2O3S3
Exact Mass 424.071584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HThou89BbK
Name (2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-3-chloropropan-1-oyl}-bornane-10,2-sultam
Alternate Name(s) Dimethyl (1S)-1-(chloromethyl)-2-[(5R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-oxoethyldithioimidocarbonate
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Formula C16H25ClN2O3S3
InChI InChI=1S/C16H25ClN2O3S3/c1-15(2)10-5-6-16(15)9-25(21,22)19(12(16)7-10)13(20)11(8-17)18-14(23-3)24-4/h10-12H,5-9H2,1-4H3/t10-,11+,12+,16-/m0/s1
InChIKey CCYCHEDHFWJMNU-LGSVPQMISA-N
Molecular Weight 425.020 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@](N=C(SC)SC)(CCl)[H])=O)[H]
SPLASH splash10-0a4r-0901000000-86e8c60a2af2c9046666
Source of Spectrum H-77-2374-3
Wiley ID 1379079