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ISOBOLDINE

View entire compound with spectra: 1 NMR, and 4 MS (GC)

ISOBOLDINE
SpectraBase Compound ID FsQe9LfJFux
InChI InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChIKey LINHZVMHXABQLB-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QA7itAV1oL
Name 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (S)-
CAS Registry Number 5164-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChIKey LINHZVMHXABQLB-UHFFFAOYSA-N
Molecular Weight 327.380 g/mol
SMILES Oc1c-2c3C(Cc4cc(c(cc24)OC)O)N(CCc3cc1OC)C
SPLASH splash10-01t9-0059000000-1b0f7ad973dfeb993f67
Source of Spectrum KC-1981-2005-0
Synonyms 2,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol (+)-Isoboldine 6a.alpha.-Aporphine-1,9-diol, 2,10-dimethoxy- d-Isoboldine Isoboldine AI3-27548
Wiley ID 1325607