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(2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-6-iodohexan-1-oyl}-bornane-10,2-sultam
SpectraBase Compound ID 8BsmbniXNUU
InChI InChI=1S/C19H31IN2O3S3/c1-18(2)13-8-9-19(18)12-28(24,25)22(15(19)11-13)16(23)14(7-5-6-10-20)21-17(26-3)27-4/h13-15H,5-12H2,1-4H3/t13-,14-,15+,19-/m0/s1
InChIKey FAQRQCWIDDWEOA-ZTENYAIWSA-N
Mol Weight 558.55 g/mol
Molecular Formula C19H31IN2O3S3
Exact Mass 558.054151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wengy535c
Name (2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-6-iodohexan-1-oyl}-bornane-10,2-sultam
Alternate Name(s) Dimethyl (1S)-1-{[(5R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]carbonyl}-5-iodopentyldithioimidocarbonate
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Formula C19H31IN2O3S3
InChI InChI=1S/C19H31IN2O3S3/c1-18(2)13-8-9-19(18)12-28(24,25)22(15(19)11-13)16(23)14(7-5-6-10-20)21-17(26-3)27-4/h13-15H,5-12H2,1-4H3/t13-,14-,15+,19-/m0/s1
InChIKey FAQRQCWIDDWEOA-ZTENYAIWSA-N
Molecular Weight 558.552 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@@](N=C(SC)SC)(CCCCI)[H])=O)[H]
SPLASH splash10-053u-8922010000-6dfe983be3e92a85d768
Source of Spectrum H-77-2375-3
Wiley ID 1406524