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1-(2-Methylphenyl)isoquinoline
SpectraBase Compound ID BUOYa3dCxUl
InChI InChI=1S/C16H13N/c1-12-6-2-4-8-14(12)16-15-9-5-3-7-13(15)10-11-17-16/h2-11H,1H3
InChIKey PCVCHIVLKSOTJT-UHFFFAOYSA-N
Mol Weight 219.29 g/mol
Molecular Formula C16H13N
Exact Mass 219.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A06OJ99Vq8I
Name 1-(2-Methylphenyl)isoquinoline
CAS Registry Number 22826-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N
InChI InChI=1S/C16H13N/c1-12-6-2-4-8-14(12)16-15-9-5-3-7-13(15)10-11-17-16/h2-11H,1H3
InChIKey PCVCHIVLKSOTJT-UHFFFAOYSA-N
Molecular Weight 219.287 g/mol
SMILES c1(-c2c(C)cccc2)c2c(cccc2)ccn1
SPLASH splash10-014i-5490000000-225cbde0c267aa40bcb1
Source of Spectrum AD-0-2532-0
Synonyms 1-(o-tolyl)isoquinoline Isoquinoline, 1-(2-methylphenyl)-
Wiley ID 1423359