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2H-Isoxazolo[3,2-a]isoquinoline-1-carbonitrile, 1-(1,1-dimethylethyl)-1,5,6,10b-tetrahydro-2-oxo-, trans-
SpectraBase Compound ID CiuVETIglEi
InChI InChI=1S/C16H18N2O2/c1-15(2,3)16(10-17)13-12-7-5-4-6-11(12)8-9-18(13)20-14(16)19/h4-7,13H,8-9H2,1-3H3
InChIKey XAGSRWPHYWBCHO-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bdGCCDAi0J
Name 2H-Isoxazolo[3,2-a]isoquinoline-1-carbonitrile, 1-(1,1-dimethylethyl)-1,5,6,10b-tetrahydro-2-oxo-, trans-
CAS Registry Number 112565-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O2
InChI InChI=1S/C16H18N2O2/c1-15(2,3)16(10-17)13-12-7-5-4-6-11(12)8-9-18(13)20-14(16)19/h4-7,13H,8-9H2,1-3H3
InChIKey XAGSRWPHYWBCHO-UHFFFAOYSA-N
Molecular Weight 270.332 g/mol
SMILES C1(C(ON2C1c1c(CC2)cccc1)=O)(C#N)C(C)(C)C
SPLASH splash10-0002-0900000000-86f8ad34501d18cd95c9
Source of Spectrum KC-1987-1638-9
Synonyms 1-Cyano-1-t-butyl-1,5,6,10b-tetrahydroisoxazolo[3,2-a]isoquinoline-2-one 1-tert-Butyl-2-oxo-1,5,6,10b-tetrahydro-2H-isoxazolo[3,2-a]isoquinoline-1-carbonitrile
Wiley ID 1274436