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1H-Imidazo[1,2-a]pyridin-4-ium, 2-(chloroacetyl)-3-hydroxy-1-(phenylmethyl)-, hydroxide, inner salt
SpectraBase Compound ID E8vKJk2N6yE
InChI InChI=1S/C16H13ClN2O2/c17-10-13(20)15-16(21)18-9-5-4-8-14(18)19(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey NKKICUNLNZYHSK-UHFFFAOYSA-N
Mol Weight 300.75 g/mol
Molecular Formula C16H13ClN2O2
Exact Mass 300.066555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7keQlzdSUm4
Name 1H-Imidazo[1,2-a]pyridin-4-ium, 2-(chloroacetyl)-3-hydroxy-1-(phenylmethyl)-, hydroxide, inner salt
CAS Registry Number 31757-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2O2
InChI InChI=1S/C16H13ClN2O2/c17-10-13(20)15-16(21)18-9-5-4-8-14(18)19(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey NKKICUNLNZYHSK-UHFFFAOYSA-N
Molecular Weight 300.745 g/mol
SMILES c1ccc(cc1)C[n]1c2cccc[n+]2c(c1C(CCl)=O)[O-]
SPLASH splash10-0a6u-9300000000-f2a956a1634e2bb98a03
Source of Spectrum O-6-802-6
Synonyms 1-Benzyl-2-(chloroacetyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-olate 1-Benzyl-2-(2-chloroacetyl)imidazo[1,2-a]pyridin-4-ium-3-olate (1Z)-2-chloro-1-[3-oxo-1-(phenylmethyl)-2-imidazo[1,2-a]pyridin-4-iumylidene]ethanolate (1Z)-1-(1-benzyl-3-oxoimidazo[1,2-a]pyridin-4-ium-2-ylidene)-2-chloroethanolate (1Z)-1-(1-benzyl-3-oxo-imidazo[1,2-a]pyridin-4-ium-2-ylidene)-2-chloro-ethanolate (1Z)-2-chloranyl-1-[3-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]pyridin-4-ium-2-ylidene]ethanolate
Wiley ID 44483