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1-(2-methyl-1H-isoquinolin-1-yl)-2-butanone
SpectraBase Compound ID 72sIEZCkgvI
InChI InChI=1S/C14H17NO/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)2/h4-9,14H,3,10H2,1-2H3
InChIKey CHBDSAFVMJAMTP-UHFFFAOYSA-N
Mol Weight 215.3 g/mol
Molecular Formula C14H17NO
Exact Mass 215.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BphONolB4aF
Name 1-(2-methyl-1H-isoquinolin-1-yl)-2-butanone
Comments Less than 3 mono-isotopic peaks
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Formula C14H17NO
InChI InChI=1S/C14H17NO/c1-3-12(16)10-14-13-7-5-4-6-11(13)8-9-15(14)2/h4-9,14H,3,10H2,1-2H3
InChIKey CHBDSAFVMJAMTP-UHFFFAOYSA-N
Molecular Weight 215.296 g/mol
SMILES C1(N(C=Cc2c1cccc2)C)CC(=O)CC
SPLASH splash10-0006-0900000000-eed7ea21f146ed9b4671
Source of Spectrum J-61-4832-9
Synonyms 1-(2-methyl-1H-isoquinolin-1-yl)butan-2-one
Wiley ID 1214788