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6-Amino-2-methyl-8-(3,4,5-trimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
SpectraBase Compound ID 9Qrti9jNHuM
InChI InChI=1S/C22H23N5O3/c1-27-6-5-14-15(9-23)21(26)22(11-24,12-25)19(16(14)10-27)13-7-17(28-2)20(30-4)18(8-13)29-3/h5,7-8,16,19H,6,10,26H2,1-4H3
InChIKey OCUCXWLHEUOTIN-UHFFFAOYSA-N
Mol Weight 405.46 g/mol
Molecular Formula C22H23N5O3
Exact Mass 405.18009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1NB6br4JT4
Name 6-Amino-2-methyl-8-(3,4,5-trimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N5O3
InChI InChI=1S/C22H23N5O3/c1-27-6-5-14-15(9-23)21(26)22(11-24,12-25)19(16(14)10-27)13-7-17(28-2)20(30-4)18(8-13)29-3/h5,7-8,16,19H,6,10,26H2,1-4H3
InChIKey OCUCXWLHEUOTIN-UHFFFAOYSA-N
Molecular Weight 405.458 g/mol
SMILES NC1=C(C2=CCN(CC2C(C1(C#N)C#N)c1cc(c(c(c1)OC)OC)OC)C)C#N
SPLASH splash10-0a59-0506900000-ab96817538a885e59581
Source of Spectrum F-72-1702-5c
Wiley ID 1805882