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3-Benzylquinoline
SpectraBase Compound ID FBkK6klXOqt
InChI InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)17-12-14/h1-9,11-12H,10H2
InChIKey QVMSGEZMPYTLKN-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 Gff8aqegisp
Name 3-Benzylquinoline
CAS Registry Number 37045-16-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N
InChI InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)17-12-14/h1-9,11-12H,10H2
InChIKey QVMSGEZMPYTLKN-UHFFFAOYSA-N
Molecular Weight 219.287 g/mol
SMILES c1ccc(cc1)Cc1cc2ccccc2nc1
SPLASH splash10-014i-0090000000-34e5e70a2693db0126d2
Source of Spectrum W5-1989-7166-1
Synonyms 3-(Phenylmethyl)quinoline
Wiley ID 1219136