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7-Acetyl-6-hydroxy-1,6-dimethyl-8-(4-methylphenyl)-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
SpectraBase Compound ID 6IBXx6JBjrV
InChI InChI=1S/C21H22N2O3/c1-11-5-7-14(8-6-11)18-17-12(2)23-20(25)16(10-22)15(17)9-21(4,26)19(18)13(3)24/h5-8,18-19,26H,9H2,1-4H3,(H,23,25)
InChIKey AXFWMBDRLAVATB-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8a9khEyoY3x
Name 7-Acetyl-6-hydroxy-1,6-dimethyl-8-(4-methylphenyl)-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-11-5-7-14(8-6-11)18-17-12(2)23-20(25)16(10-22)15(17)9-21(4,26)19(18)13(3)24/h5-8,18-19,26H,9H2,1-4H3,(H,23,25)
InChIKey AXFWMBDRLAVATB-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1658-9
Molecular Weight 350.418 g/mol
SMILES N1C(C(=C2CC(C(C(C2=C1C)c1ccc(cc1)C)C(=O)C)(C)O)C#N)=O
SPLASH splash10-000i-5190000000-1e30dc4d479444b7b8cc
Source of Spectrum HC-51-53-4b
Synonyms 7-Acetyl-6-hydroxy-1,6-dimethyl-3-oxo-8-(p-tolyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Wiley ID 1803597