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3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-pyrrolidine-2,5-dione
SpectraBase Compound ID ESH91j5nmBY
InChI InChI=1S/C14H16N2O2/c1-15-13(17)8-12(14(15)18)16-7-6-10-4-2-3-5-11(10)9-16/h2-5,12H,6-9H2,1H3
InChIKey HAVCKVXKAUQRCY-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYj8TlgIkLi
Name 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-pyrrolidine-2,5-dione
Alternate Name(s) 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-pyrrolidine-2,5-quinone
CAS Registry Number 131786-36-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-15-13(17)8-12(14(15)18)16-7-6-10-4-2-3-5-11(10)9-16/h2-5,12H,6-9H2,1H3
InChIKey HAVCKVXKAUQRCY-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES C1(N(C(CC1N1Cc2ccccc2CC1)=O)C)=O
SPLASH splash10-001i-0900000000-e2f40377eb31b6c90476
Source of Spectrum F-46-6447-33
Wiley ID 1247139