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Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(2-oxocyclohexylidene)-, (E)-
SpectraBase Compound ID 4U5ACRbvbS2
InChI InChI=1S/C19H23NO4/c1-12(21)20-9-8-13-10-17(23-2)18(24-3)11-15(13)19(20)14-6-4-5-7-16(14)22/h10-11H,4-9H2,1-3H3/b19-14+
InChIKey QRFMYIPYGCGUMF-XMHGGMMESA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GK130Yy35zt
Name Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(2-oxocyclohexylidene)-, (E)-
Alternate Name(s) (2E)-2-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1(2H)-isoquinolinylidene)cyclohexanone (Z)- and (E)-2-[2-acetyl-3,4-dihydro-6,7-dimethoxy-1(2H)-isoquinolinyliden]cyclohexanone
CAS Registry Number 78632-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-12(21)20-9-8-13-10-17(23-2)18(24-3)11-15(13)19(20)14-6-4-5-7-16(14)22/h10-11H,4-9H2,1-3H3/b19-14+
InChIKey QRFMYIPYGCGUMF-XMHGGMMESA-N
Molecular Weight 329.396 g/mol
SMILES C(N1\C(c2c(CC1)cc(c(c2)OC)OC)=C/1C(=O)CCCC1)(=O)C
SPLASH splash10-0zmr-0094000000-8f072532aec493da07ec
Source of Spectrum K-114-2178-0
Wiley ID 1327155