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1(2H)-Isoquinolinone, 3-(3,4-dimethoxyphenyl)-3,4-dihydro-4-hydroxy-2-methyl-, cis-(.+-.)-
SpectraBase Compound ID AMN0TcAOcAD
InChI InChI=1S/C18H19NO4/c1-19-16(11-8-9-14(22-2)15(10-11)23-3)17(20)12-6-4-5-7-13(12)18(19)21/h4-10,16-17,20H,1-3H3/t16-,17-/m1/s1
InChIKey WVRWQYNWMZTANF-IAGOWNOFSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6i84nq3N6wk
Name 1(2H)-Isoquinolinone, 3-(3,4-dimethoxyphenyl)-3,4-dihydro-4-hydroxy-2-methyl-, cis-(.+-.)-
CAS Registry Number 91613-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-19-16(11-8-9-14(22-2)15(10-11)23-3)17(20)12-6-4-5-7-13(12)18(19)21/h4-10,16-17,20H,1-3H3/t16-,17-/m1/s1
InChIKey WVRWQYNWMZTANF-IAGOWNOFSA-N
Molecular Weight 313.353 g/mol
SMILES O[C@]1([C@](N(C(c2ccccc12)=O)C)(c1cc(OC)c(cc1)OC)[H])[H]
SPLASH splash10-001i-0902000000-34ea5439345041b8e3fe
Source of Spectrum I-62-1398-0
Synonyms (3R,4R)-3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone cis-and trans-3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-3,4-dihydro-1(2H)-isoquinolones
Wiley ID 1314290