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(3S,4R,5R,6S)-1-(phenylmethyl)azepane-3,4,5,6-tetrol
SpectraBase Compound ID Bruyc08zLC7
InChI InChI=1S/C13H19NO4/c15-10-7-14(6-9-4-2-1-3-5-9)8-11(16)13(18)12(10)17/h1-5,10-13,15-18H,6-8H2/t10-,11-,12+,13+/m0/s1
InChIKey BNKDZUBTWKOJBR-WUHRBBMRSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3V81IFzPAW5
Name (3S,4R,5R,6S)-1-(phenylmethyl)azepane-3,4,5,6-tetrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c15-10-7-14(6-9-4-2-1-3-5-9)8-11(16)13(18)12(10)17/h1-5,10-13,15-18H,6-8H2/t10-,11-,12+,13+/m0/s1
InChIKey BNKDZUBTWKOJBR-WUHRBBMRSA-N
Molecular Weight 253.298 g/mol
SMILES O[C@]1([C@@]([C@](CN(C[C@@]1(O)[H])Cc1ccccc1)(O)[H])(O)[H])[H]
SPLASH splash10-0006-9140000000-b81417efe0ea744556ce
Source of Spectrum Y1-38-1318-5
Synonyms (3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
Wiley ID 1527913