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2-(ethoxycarbonyl)-1-(1-methyl-2-oxobutyl)-1,2-dihydroisoquinoline
SpectraBase Compound ID 6epVkG6LVLG
InChI InChI=1S/C17H21NO3/c1-4-15(19)12(3)16-14-9-7-6-8-13(14)10-11-18(16)17(20)21-5-2/h6-12,16H,4-5H2,1-3H3
InChIKey JHTUXKJNWGBTGK-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2Ze1ewTglt
Name 2-(ethoxycarbonyl)-1-(1-methyl-2-oxobutyl)-1,2-dihydroisoquinoline
Alternate Name(s) Ethyl 1-(1-methyl-2-oxobutyl)-2(1H)-isoquinolinecarboxylate
CAS Registry Number 81358-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-4-15(19)12(3)16-14-9-7-6-8-13(14)10-11-18(16)17(20)21-5-2/h6-12,16H,4-5H2,1-3H3
InChIKey JHTUXKJNWGBTGK-UHFFFAOYSA-N
Molecular Weight 287.359 g/mol
SMILES C1(N(C=Cc2ccccc12)C(=O)OCC)C(C(=O)CC)C
SPLASH splash10-0f89-0960000000-2545684f89749329c490
Source of Spectrum J-50-66-3
Wiley ID 1290911