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Isoquinoline, 6(or 7)-chloro-5,7,8(or 5,6,8)-trimethyl-
SpectraBase Compound ID K2A26y9SH2R
InChI InChI=1S/C12H12ClN/c1-7-8(2)12(13)9(3)11-6-14-5-4-10(7)11/h4-6H,1-3H3
InChIKey AVKXBHSUYCFSAT-UHFFFAOYSA-N
Mol Weight 205.69 g/mol
Molecular Formula C12H12ClN
Exact Mass 205.065827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4j9vdK1JD2N
Name Isoquinoline, 6(or 7)-chloro-5,7,8(or 5,6,8)-trimethyl-
CAS Registry Number 127459-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN
InChI InChI=1S/C12H12ClN/c1-7-8(2)12(13)9(3)11-6-14-5-4-10(7)11/h4-6H,1-3H3
InChIKey AVKXBHSUYCFSAT-UHFFFAOYSA-N
Molecular Weight 205.688 g/mol
SMILES c1(c(c(C)c2c(c1C)cncc2)C)Cl
SPLASH splash10-0a4i-2890000000-1806cb65e49f82a03e81
Source of Spectrum H-72-1615-14
Synonyms 5,6(7),8-trimethyl-7(6)-chloroisoquinoline 7-Chloro-5,6,8-trimethylisoquinoline
Wiley ID 1203388