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(2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-5-chloropentan-1-oyl}-bornane-10,2-sultam
SpectraBase Compound ID 2CCInQYfkk0
InChI InChI=1S/C18H29ClN2O3S3/c1-17(2)12-7-8-18(17)11-27(23,24)21(14(18)10-12)15(22)13(6-5-9-19)20-16(25-3)26-4/h12-14H,5-11H2,1-4H3/t12-,13-,14+,18-/m0/s1
InChIKey SNUFORVHRPKZPQ-FLTUCWPJSA-N
Mol Weight 453.07 g/mol
Molecular Formula C18H29ClN2O3S3
Exact Mass 452.102884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KILhaQ0Vfoi
Name (2R)-N-{(2S)-2-{[bis(Methylthio)methylidene]amino}-5-chloropentan-1-oyl}-bornane-10,2-sultam
Alternate Name(s) Dimethyl (1S)-4-chloro-1-{[(5R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]carbonyl}butyldithioimidocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29ClN2O3S3
InChI InChI=1S/C18H29ClN2O3S3/c1-17(2)12-7-8-18(17)11-27(23,24)21(14(18)10-12)15(22)13(6-5-9-19)20-16(25-3)26-4/h12-14H,5-11H2,1-4H3/t12-,13-,14+,18-/m0/s1
InChIKey SNUFORVHRPKZPQ-FLTUCWPJSA-N
Molecular Weight 453.074 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@@](N=C(SC)SC)(CCCCl)[H])=O)[H]
SPLASH splash10-0006-9600000000-d93793278146acf2694e
Source of Spectrum H-77-2374-3
Wiley ID 1388115