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(Z)-N-(2-isoquinolin-2-iumyl)benzenecarboximidate
SpectraBase Compound ID Dyg8l8oLEPn
InChI InChI=1S/C16H12N2O/c19-16(14-7-2-1-3-8-14)17-18-11-10-13-6-4-5-9-15(13)12-18/h1-12H
InChIKey ZBISIETWIMMGEW-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C16H12N2O
Exact Mass 248.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49iGt2sv7tW
Name (Z)-N-(2-isoquinolin-2-iumyl)benzenecarboximidate
Alternate Name(s) (Z)-N-isoquinolin-2-ium-2-ylbenzenecarboximidate
CAS Registry Number 31382-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O
InChI InChI=1S/C16H12N2O/c19-16(14-7-2-1-3-8-14)17-18-11-10-13-6-4-5-9-15(13)12-18/h1-12H
InChIKey ZBISIETWIMMGEW-UHFFFAOYSA-N
Molecular Weight 248.285 g/mol
SMILES c1ccc(cc1)\C(=N\[n+]1ccc2ccccc2c1)[O-]
SPLASH splash10-002b-6950000000-6527ccd3b11af2647663
Source of Spectrum OS-5-25-0
Wiley ID 1251543