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2-(2,2-dimethyl-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

2-(2,2-dimethyl-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID EgB2vmc2yNV
InChI InChI=1S/C17H23NO3/c1-5-21-15(19)14-10-12-8-6-7-9-13(12)11-18(14)16(20)17(2,3)4/h6-9,14H,5,10-11H2,1-4H3
InChIKey NATVIOBQLKJQHC-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMAlFfmM8RW
Name 2-(2,2-dimethyl-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester
Alternate Name(s) 2-pivaloyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester ethyl 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-5-21-15(19)14-10-12-8-6-7-9-13(12)11-18(14)16(20)17(2,3)4/h6-9,14H,5,10-11H2,1-4H3
InChIKey NATVIOBQLKJQHC-UHFFFAOYSA-N
Molecular Weight 289.375 g/mol
SMILES C(N1C(Cc2c(C1)cccc2)C(=O)OCC)(C(C)(C)C)=O
SPLASH splash10-0udi-0090000000-e102a07ca22ee7b11d60
Source of Spectrum E1-45-1251-0
Wiley ID 1554001