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(-)-(3S,4R,5R,6S)-3,6-Diamino-4,5-O-isopropylidenethiepane
SpectraBase Compound ID GbrpOqesCbs
InChI InChI=1S/C9H18N2O2S/c1-9(2)12-7-5(10)3-14-4-6(11)8(7)13-9/h5-8H,3-4,10-11H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKey YWWQIYDJEQSDAS-ULAWRXDQSA-N
Mol Weight 218.32 g/mol
Molecular Formula C9H18N2O2S
Exact Mass 218.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vyBV1myy76
Name (-)-(3S,4R,5R,6S)-3,6-Diamino-4,5-O-isopropylidenethiepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18N2O2S
InChI InChI=1S/C9H18N2O2S/c1-9(2)12-7-5(10)3-14-4-6(11)8(7)13-9/h5-8H,3-4,10-11H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKey YWWQIYDJEQSDAS-ULAWRXDQSA-N
Molecular Weight 218.315 g/mol
SMILES N[C@@]1([C@@]2([C@@]([C@@](CSC1)(N)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-05mo-9110000000-dea583d74fb33ef24dbd
Source of Spectrum KD-13-195-10
Synonyms (3aR,4R,8S,8aR)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diamine
Wiley ID 1634977