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6-(3-Butynylaminomethyl)-3-phenyl-5-chloro-1-benzyl-2(1H)-pyrazinone
SpectraBase Compound ID 2lOH69Xx5NI
InChI InChI=1S/C22H20ClN3O/c1-2-3-14-24-15-19-21(23)25-20(18-12-8-5-9-13-18)22(27)26(19)16-17-10-6-4-7-11-17/h1,4-13,24H,3,14-16H2
InChIKey IQKBFGXEVSBYKT-UHFFFAOYSA-N
Mol Weight 377.88 g/mol
Molecular Formula C22H20ClN3O
Exact Mass 377.12949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zdqfthtPj0
Name 6-(3-Butynylaminomethyl)-3-phenyl-5-chloro-1-benzyl-2(1H)-pyrazinone
Alternate Name(s) 1-Benzyl-6-[(3-butynylamino)methyl]-5-chloro-3-phenyl-2(1H)-pyrazinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20ClN3O
InChI InChI=1S/C22H20ClN3O/c1-2-3-14-24-15-19-21(23)25-20(18-12-8-5-9-13-18)22(27)26(19)16-17-10-6-4-7-11-17/h1,4-13,24H,3,14-16H2
InChIKey IQKBFGXEVSBYKT-UHFFFAOYSA-N
Molecular Weight 377.875 g/mol
SMILES N(CC=1N(C(C(=NC1Cl)c1ccccc1)=O)Cc1ccccc1)CCC#C
SPLASH splash10-0006-9005000000-841f9c4e95f5976ef94f
Source of Spectrum F-52-9171-11
Wiley ID 797313