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NEOLITACUMONINE;1-(PARA-HYDROXYBENZYL)-6,7-METHYLENEDIOXYISOQUINOLINE

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

NEOLITACUMONINE;1-(PARA-HYDROXYBENZYL)-6,7-METHYLENEDIOXYISOQUINOLINE
SpectraBase Compound ID L18rZdzLVgF
InChI InChI=1S/C17H13NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-6,8-9,19H,7,10H2
InChIKey KRHLIEJPAKUMIW-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTXm0AUH2a2
Name Neolitacumonine
Alternate Name(s) 4-([1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol 4-([1,3]dioxol[4,5-g]isoquinolin-5-ylmethyl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-6,8-9,19H,7,10H2
InChIKey KRHLIEJPAKUMIW-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES Oc1ccc(Cc2c3cc4OCOc4cc3ccn2)cc1
SPLASH splash10-004i-0090000000-f115ef5d9a559f8a49a8
Source of Spectrum G4-65-258-5
Wiley ID 1639346