For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Chloro-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-ylamino)-benzoic acid
SpectraBase Compound ID 21wrnjXr9dM
InChI InChI=1S/C13H16ClNO6/c1-5-9(16)10(17)11(18)12(21-5)15-8-3-2-6(14)4-7(8)13(19)20/h2-5,9-12,15-18H,1H3,(H,19,20)/t5-,9-,10+,11+,12+/m0/s1
InChIKey LMEHRXSKWHTBLA-YTYCZEAOSA-N
Mol Weight 317.72 g/mol
Molecular Formula C13H16ClNO6
Exact Mass 317.066615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3STZpkY5Nx7
Name 5-Chloro-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-ylamino)-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClNO6
InChI InChI=1S/C13H16ClNO6/c1-5-9(16)10(17)11(18)12(21-5)15-8-3-2-6(14)4-7(8)13(19)20/h2-5,9-12,15-18H,1H3,(H,19,20)/t5-,9-,10+,11+,12+/m0/s1
InChIKey LMEHRXSKWHTBLA-YTYCZEAOSA-N
Molecular Weight 317.725 g/mol
SMILES O[C@]1([C@]([C@@](O[C@]([C@@]1(O)[H])(C)[H])(Nc1c(C(=O)O)cc(cc1)Cl)[H])(O)[H])[H]
SPLASH splash10-0ue9-5920000000-ce75c31dc739271ff2d6
Synonyms N-(2-carboxy-4-chlorophenyl)-6-deoxyhexopyranosylamine
Wiley ID 1443043