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1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylic acid allyl ester
SpectraBase Compound ID IBDA6aE7nYs
InChI InChI=1S/C18H22N2O3/c1-5-12-23-17(22)20-11-10-13-8-6-7-9-14(13)15(20)16(21)19-18(2,3)4/h5-11,15H,1,12H2,2-4H3,(H,19,21)
InChIKey QJGMKPKQWZGIOC-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu5mgFbFw8l
Name 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylic acid allyl ester
Alternate Name(s) 1-[(tert-butylamino)-oxomethyl]-1H-isoquinoline-2-carboxylic acid prop-2-enyl ester Allyl 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate Prop-2-enyl 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate
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Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-5-12-23-17(22)20-11-10-13-8-6-7-9-14(13)15(20)16(21)19-18(2,3)4/h5-11,15H,1,12H2,2-4H3,(H,19,21)
InChIKey QJGMKPKQWZGIOC-UHFFFAOYSA-N
Molecular Weight 314.385 g/mol
SMILES N(C(C1N(C=Cc2ccccc12)C(=O)OCC=C)=O)C(C)(C)C
SPLASH splash10-0229-0980000000-5a853be4bde18cc21821
Source of Spectrum F-69-3552-2
Wiley ID 1595126