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4-(1,2,3,4-Tetrahydro-1-isoquinolinyl)benzonitrile
SpectraBase Compound ID EGMxC1Lqk1H
InChI InChI=1S/C16H14N2/c17-11-12-5-7-14(8-6-12)16-15-4-2-1-3-13(15)9-10-18-16/h1-8,16,18H,9-10H2
InChIKey DOYWXGCIGRFJEW-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C16H14N2
Exact Mass 234.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPLw4ucsD9z
Name 4-(1,2,3,4-Tetrahydro-1-isoquinolinyl)benzonitrile
CAS Registry Number 199479-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2
InChI InChI=1S/C16H14N2/c17-11-12-5-7-14(8-6-12)16-15-4-2-1-3-13(15)9-10-18-16/h1-8,16,18H,9-10H2
InChIKey DOYWXGCIGRFJEW-UHFFFAOYSA-N
Molecular Weight 234.302 g/mol
SMILES N1CCc2c(C1c1ccc(C#N)cc1)cccc2
SPLASH splash10-0006-7900000000-22316b4b29efcf64c265
Source of Spectrum AD-0-2532-0
Synonyms 4-(1,2,3,4-tetrahydroisoquinolin-1-yl)benzenecarbonitrile 4-(1,2,3,4-tetrahydroisoquinolin-1-yl)benzonitrile Benzonitrile, 4-(1,2,3,4-tetrahydro-1-isoquinolyl)-
Wiley ID 1432497