For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(1,3-benzodioxo-5-ylmethyl)-4-hydroxy-3-methoxycarbonylisoquinoline-2-ium chloride
SpectraBase Compound ID 740wD2bOqkA
InChI InChI=1S/C19H15NO5.ClH/c1-23-19(22)17-18(21)14-5-3-2-4-13(14)10-20(17)9-12-6-7-15-16(8-12)25-11-24-15;/h2-8,10H,9,11H2,1H3;1H
InChIKey XFFSVIWPLJBPGG-UHFFFAOYSA-N
Mol Weight 373.79 g/mol
Molecular Formula C19H16ClNO5
Exact Mass 373.0717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JFtEex549A5
Name 2-(1,3-benzodioxo-5-ylmethyl)-4-hydroxy-3-methoxycarbonylisoquinoline-2-ium chloride
Alternate Name(s) 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-(methoxycarbonyl)isoquinolinium chloride 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-methoxycarbonylisoquinoline-2-ium chloride 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-isoquinolin-2-iumcarboxylic acid methyl ester;chloride Methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxyisoquinolin-2-ium-3-carboxylate;chloride Methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-isoquinolin-2-ium-3-carboxylate;chloride Methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-isoquinolin-2-ium-3-carboxylate;chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClNO5
InChI InChI=1S/C19H15NO5.ClH/c1-23-19(22)17-18(21)14-5-3-2-4-13(14)10-20(17)9-12-6-7-15-16(8-12)25-11-24-15;/h2-8,10H,9,11H2,1H3;1H
InChIKey XFFSVIWPLJBPGG-UHFFFAOYSA-N
Molecular Weight 373.792 g/mol
SMILES [Cl-].Oc1c([n+](cc2c1cccc2)Cc1cc2OCOc2cc1)C(=O)OC
SPLASH splash10-000i-0917000000-4996696e013dea224747
Source of Spectrum KC-0-2007-4
Wiley ID 786203