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[(2S,3S,4R,5S)-5-acetamido-2,3,4-triacetoxy-5-cyanopentyl]acetate
SpectraBase Compound ID 1IsrUS81jvx
InChI InChI=1S/C16H22N2O9/c1-8(19)18-13(6-17)15(26-11(4)22)16(27-12(5)23)14(25-10(3)21)7-24-9(2)20/h13-16H,7H2,1-5H3,(H,18,19)/t13-,14-,15+,16+/m0/s1
InChIKey MMTPGHDGDMHPRG-CAOSSQGBSA-N
Mol Weight 386.36 g/mol
Molecular Formula C16H22N2O9
Exact Mass 386.13253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5g8XgA1vcE
Name [(2S,3S,4R,5S)-5-acetamido-2,3,4-triacetoxy-5-cyanopentyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O9
InChI InChI=1S/C16H22N2O9/c1-8(19)18-13(6-17)15(26-11(4)22)16(27-12(5)23)14(25-10(3)21)7-24-9(2)20/h13-16H,7H2,1-5H3,(H,18,19)/t13-,14-,15+,16+/m0/s1
InChIKey MMTPGHDGDMHPRG-CAOSSQGBSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1002/rcm.2014
Molecular Weight 386.357 g/mol
SMILES N([C@@](C#N)([C@]([C@@]([C@](COC(C)=O)(OC(=O)C)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(=O)C
SPLASH splash10-002s-1900000000-1c49d67fb0d1239c8510
Source of Spectrum RCM-19-1995-Fig. 2(a)
Wiley ID 1837927