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1-Methyl-3-phenylisoquinoline
SpectraBase Compound ID HzG2cZJ0H2J
InChI InChI=1S/C16H13N/c1-12-15-10-6-5-9-14(15)11-16(17-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey ZOXOLPGKTSLTFP-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 gJbhF5oTRL
Name 1-Methyl-3-phenylisoquinoline
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.104799423 u
Formula C16H13N
InChI InChI=1S/C16H13N/c1-12-15-10-6-5-9-14(15)11-16(17-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKey ZOXOLPGKTSLTFP-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 219.287 g/mol
Quality 68
Reported Formula C16H13N
SMILES CC1=NC(=CC2=C1C=CC=C2)C1=CC=CC=C1
SPLASH splash10-014i-0190000000-ee09b7355736b8dbbc23
Source of Spectrum ACI-57-SM36-13aa (DOI: 10.1002/anie.201801111)
Wiley ID 1892944