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2-Acetyl-1-(1-methyl-2-oxobutyl)-1,2-dihydroisoquinoline
SpectraBase Compound ID 2vvaeB3rfEC
InChI InChI=1S/C16H19NO2/c1-4-15(19)11(2)16-14-8-6-5-7-13(14)9-10-17(16)12(3)18/h5-11,16H,4H2,1-3H3
InChIKey ZMTQJMGEQNLMRN-UHFFFAOYSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7wJ5TYkVIF
Name 2-Acetyl-1-(1-methyl-2-oxobutyl)-1,2-dihydroisoquinoline
Alternate Name(s) 2-(2-acetyl-1,2-dihydro-1-isoquinolinyl)-3-pentanone
CAS Registry Number 84955-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-4-15(19)11(2)16-14-8-6-5-7-13(14)9-10-17(16)12(3)18/h5-11,16H,4H2,1-3H3
InChIKey ZMTQJMGEQNLMRN-UHFFFAOYSA-N
Molecular Weight 257.333 g/mol
SMILES C1(N(C=Cc2ccccc12)C(=O)C)C(C(=O)CC)C
SPLASH splash10-001i-0900000000-5a998997abf41d4716e3
Source of Spectrum J-50-66-3
Wiley ID 1260943