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D-Mannonic acid, 2-(benzoylamino)-2-deoxy-2-C-(hydroxymethyl)-, .gamma.-lactone
SpectraBase Compound ID 2d9hkxT1kOx
InChI InChI=1S/C14H17NO7/c16-6-9(18)10-11(19)14(7-17,13(21)22-10)15-12(20)8-4-2-1-3-5-8/h1-5,9-11,16-19H,6-7H2,(H,15,20)/t9-,10-,11+,14-/m1/s1
InChIKey GTWIMMJPDSNOIC-NJBDSQKTSA-N
Mol Weight 311.29 g/mol
Molecular Formula C14H17NO7
Exact Mass 311.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM14HdwdlCM
Name D-Mannonic acid, 2-(benzoylamino)-2-deoxy-2-C-(hydroxymethyl)-, .gamma.-lactone
Alternate Name(s) 2-Benzoylamino-2-deoxy-2-hydroxymethyl-D-mannono-1,4-lactone N-[(3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-3-(hydroxymethyl)-2-oxooxolan-3-yl]benzamide
CAS Registry Number 82726-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO7
InChI InChI=1S/C14H17NO7/c16-6-9(18)10-11(19)14(7-17,13(21)22-10)15-12(20)8-4-2-1-3-5-8/h1-5,9-11,16-19H,6-7H2,(H,15,20)/t9-,10-,11+,14-/m1/s1
InChIKey GTWIMMJPDSNOIC-NJBDSQKTSA-N
Molecular Weight 311.290 g/mol
SMILES O[C@]1([C@](OC([C@]1(CO)NC(=O)c1ccccc1)=O)([C@](O)(CO)[H])[H])[H]
SPLASH splash10-0a4i-0910000000-f9a6a828294d7753bb20
Source of Spectrum KC-1983-1617-0
Wiley ID 1312272