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5H-Cyclohepta[b]pyridin-5-one, 2-phenyl-
SpectraBase Compound ID 7YnhruTNzlU
InChI InChI=1S/C16H11NO/c18-16-9-5-4-8-15-13(16)10-11-14(17-15)12-6-2-1-3-7-12/h1-11H
InChIKey PWPHUOOWIJRNAZ-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C16H11NO
Exact Mass 233.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlK3vOVy2jc
Name 5H-Cyclohepta[b]pyridin-5-one, 2-phenyl-
Alternate Name(s) 2-Phenyl-5H-cyclohepta[b]pyridin-5-one
CAS Registry Number 129410-90-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO
InChI InChI=1S/C16H11NO/c18-16-9-5-4-8-15-13(16)10-11-14(17-15)12-6-2-1-3-7-12/h1-11H
InChIKey PWPHUOOWIJRNAZ-UHFFFAOYSA-N
Molecular Weight 233.270 g/mol
SMILES c12nc(ccc2C(C=CC=C1)=O)-c1ccccc1
SPLASH splash10-0udi-0090000000-a83f8f68777dd52c615d
Source of Spectrum KC-1990-439-15
Wiley ID 1235190