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2-Benzyl-perhydro-4-isoquinolinone isomer
SpectraBase Compound ID GWLaQpRYrUm
InChI InChI=1S/C16H21NO/c18-16-12-17(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey VEQMSJSNCCVHHU-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MJD8LRmSeD
Name 2-Benzyl-perhydro-4-isoquinolinone isomer
Alternate Name(s) 2-Benzyl-perhydro-4-isoquinolinone 2-Benzyloctahydro-4(1H)-isoquinolinone
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Formula C16H21NO
InChI InChI=1S/C16H21NO/c18-16-12-17(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey VEQMSJSNCCVHHU-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES C1N(CC2C(C1=O)CCCC2)Cc1ccccc1
SPLASH splash10-0006-6390000000-57427e03e73da797f2e6
Source of Spectrum C-113-8861-65
Wiley ID 1246267