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(-)-(3S,4R,5R,6S)-4,5-Diazido-3,6-di-O-benzylthiepane
SpectraBase Compound ID B8rhaVsqqIz
InChI InChI=1S/C20H22N6O2S/c21-25-23-19-17(27-11-15-7-3-1-4-8-15)13-29-14-18(20(19)24-26-22)28-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19+,20+/m1/s1
InChIKey OSRZOKKHUOMAHV-ZRNYENFQSA-N
Mol Weight 410.5 g/mol
Molecular Formula C20H22N6O2S
Exact Mass 410.152495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID l5OP2RHs0
Name (-)-(3S,4R,5R,6S)-4,5-Diazido-3,6-di-O-benzylthiepane
Alternate Name(s) (3S,4R,5R,6S)-4,5-diazido-3,6-dibenzyloxy-thiepane (3S,4R,5R,6S)-4,5-diazido-3,6-bis(phenylmethoxy)thiepane
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Formula C20H22N6O2S
InChI InChI=1S/C20H22N6O2S/c21-25-23-19-17(27-11-15-7-3-1-4-8-15)13-29-14-18(20(19)24-26-22)28-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19+,20+/m1/s1
InChIKey OSRZOKKHUOMAHV-ZRNYENFQSA-N
Molecular Weight 410.496 g/mol
SMILES [C@@]1([C@@](N=[N+]=[N-])([C@](OCc2ccccc2)(CSC[C@]1(OCc1ccccc1)[H])[H])[H])(N=[N+]=[N-])[H]
SPLASH splash10-000x-9070000000-adc17a13a4007302589f
Source of Spectrum KC-57-3443-16
Wiley ID 1623787