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(3S,4R,5R,6S)-1-(4-hydroxybutyl)azepane-3,4,5,6-tetrol
SpectraBase Compound ID GQztN7KZKx9
InChI InChI=1S/C10H21NO5/c12-4-2-1-3-11-5-7(13)9(15)10(16)8(14)6-11/h7-10,12-16H,1-6H2/t7-,8-,9+,10+/m0/s1
InChIKey PQWYUEFSJZPCKY-AXTSPUMRSA-N
Mol Weight 235.28 g/mol
Molecular Formula C10H21NO5
Exact Mass 235.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Av1bQWTyfM7
Name (3S,4R,5R,6S)-1-(4-hydroxybutyl)azepane-3,4,5,6-tetrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H21NO5
InChI InChI=1S/C10H21NO5/c12-4-2-1-3-11-5-7(13)9(15)10(16)8(14)6-11/h7-10,12-16H,1-6H2/t7-,8-,9+,10+/m0/s1
InChIKey PQWYUEFSJZPCKY-AXTSPUMRSA-N
Molecular Weight 235.280 g/mol
SMILES O[C@@]1([C@]([C@@]([C@](CN(C1)CCCCO)(O)[H])(O)[H])(O)[H])[H]
SPLASH splash10-0udi-0390000000-0207a81763e91bd2ac20
Source of Spectrum Y1-38-1319-5
Synonyms (3S,4R,5R,6S)-1-N-(4-Hydroxymethyl)propyl-3,4,5,6-tetrahydroxyazepane (3S,4R,5R,6S)-1-(4-oxidanylbutyl)azepane-3,4,5,6-tetrol
Wiley ID 1527903