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2-Benzyl-1-oxo-4-( 5'-formylpentyl)isoquinoline
SpectraBase Compound ID 8xOrcX1tNBc
InChI InChI=1S/C21H21NO2/c23-14-8-2-5-11-18-16-22(15-17-9-3-1-4-10-17)21(24)20-13-7-6-12-19(18)20/h1,3-4,6-7,9-10,12-14,16H,2,5,8,11,15H2
InChIKey WMCHMCMMIUNTCG-UHFFFAOYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C21H21NO2
Exact Mass 319.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83uw4Wh8tdD
Name 2-Benzyl-1-oxo-4-( 5'-formylpentyl)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c23-14-8-2-5-11-18-16-22(15-17-9-3-1-4-10-17)21(24)20-13-7-6-12-19(18)20/h1,3-4,6-7,9-10,12-14,16H,2,5,8,11,15H2
InChIKey WMCHMCMMIUNTCG-UHFFFAOYSA-N
Molecular Weight 319.404 g/mol
SMILES C1(N(C=C(c2ccccc12)CCCCC=O)Cc1ccccc1)=O
SPLASH splash10-0006-9010000000-67a39e781e40aa043dbf
Source of Spectrum SK-27-461-17
Synonyms 2-Benzyl-1-oxo-4-(5'-oxopentyl)isoquinoline 5-[1-oxo-2-(phenylmethyl)-4-isoquinolinyl]pentanal 5-(2-benzyl-1-oxoisoquinolin-4-yl)pentanal 5-(2-benzyl-1-oxo-4-isoquinolyl)pentanal 5-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-4-yl]pentanal
Wiley ID 867585