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4-( Pyridin-3'-yl)-3-methyl-3-buten-2-one-hydrochloride
SpectraBase Compound ID C7At2SdepgF
InChI InChI=1S/C10H11NO.Cl/c1-8(9(2)12)6-10-4-3-5-11-7-10;/h3-7H,1-2H3;/b8-6+;
InChIKey DYCADIMGILFGHH-WVLIHFOGSA-N
Mol Weight 196.66 g/mol
Molecular Formula C10H11ClNO
Exact Mass 196.052917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Y9yyglYUWM
Name 4-( Pyridin-3'-yl)-3-methyl-3-buten-2-one-hydrochloride
Alternate Name(s) (3E)-3-methyl-4-(3-pyridinyl)-3-buten-2-one hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClNO
InChI InChI=1S/C10H11NO.Cl/c1-8(9(2)12)6-10-4-3-5-11-7-10;/h3-7H,1-2H3;/b8-6+;
InChIKey DYCADIMGILFGHH-WVLIHFOGSA-N
Molecular Weight 197.665 g/mol
SMILES Cl.c1(\C=C\(C(=O)C)C)cnccc1
SPLASH splash10-0zfr-9500000000-322cf6cc80378e6fd291
Source of Spectrum AH-127-1163-3
Wiley ID 1194388