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2-[7-Acetyl-4-cyano-6-hydroxy-8-(4-isopropylphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-ylidene]malononitrile

View entire compound with spectra: 1 MS (GC)

2-[7-Acetyl-4-cyano-6-hydroxy-8-(4-isopropylphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-ylidene]malononitrile
SpectraBase Compound ID Kb5XBRZXLEu
InChI InChI=1S/C26H26N4O2/c1-14(2)17-6-8-18(9-7-17)23-22-15(3)30-25(19(11-27)12-28)21(13-29)20(22)10-26(5,32)24(23)16(4)31/h6-9,14,23-24,30,32H,10H2,1-5H3
InChIKey FVSMRXLRNZICEX-UHFFFAOYSA-N
Mol Weight 426.52 g/mol
Molecular Formula C26H26N4O2
Exact Mass 426.205576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CX6dcYgdQEk
Name 2-[7-Acetyl-4-cyano-6-hydroxy-8-(4-isopropylphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-ylidene]malononitrile
Alternate Name(s) 2-(7-acetyl-4-cyano-6-hydroxy-8-(4-isopropylphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-ylidene)malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N4O2
InChI InChI=1S/C26H26N4O2/c1-14(2)17-6-8-18(9-7-17)23-22-15(3)30-25(19(11-27)12-28)21(13-29)20(22)10-26(5,32)24(23)16(4)31/h6-9,14,23-24,30,32H,10H2,1-5H3
InChIKey FVSMRXLRNZICEX-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1658-9
Molecular Weight 426.520 g/mol
SMILES N1C(=C2C(C(C(CC2=C(C1=C(C#N)C#N)C#N)(C)O)C(=O)C)c1ccc(cc1)C(C)C)C
SPLASH splash10-00kf-9016000000-16835750867da2119a81
Source of Spectrum HC-51-54-5f
Wiley ID 1803603