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D-gluco-Heptononitrile, 2,6-dideoxy-2,6-imino-, (2.xi.)-
SpectraBase Compound ID GObofCtJjUM
InChI InChI=1S/C7H12N2O4/c8-3-9-1-5(11)7(13)6(12)4(9)2-10/h4-7,10-13H,1-2H2
InChIKey FWIJAJWKECYCGY-UHFFFAOYSA-N
Mol Weight 188.18 g/mol
Molecular Formula C7H12N2O4
Exact Mass 188.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh5OfFrCSRl
Name D-gluco-Heptononitrile, 2,6-dideoxy-2,6-imino-, (2.xi.)-
CAS Registry Number 91840-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12N2O4
InChI InChI=1S/C7H12N2O4/c8-3-9-1-5(11)7(13)6(12)4(9)2-10/h4-7,10-13H,1-2H2
InChIKey FWIJAJWKECYCGY-UHFFFAOYSA-N
Molecular Weight 188.183 g/mol
SMILES OC1C(C(CN(C1CO)C#N)O)O
SPLASH splash10-0r0r-9400000000-2d5c1913216bf5b54a0d
Source of Spectrum O-19-178-2
Synonyms 1-Cyano-1-desoxinojirimycin 1-cyano-2-(hydroxymethyl)-3,4,5-piperidinetriol
Wiley ID 1184191