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4-phenylimino-1-(2-pyridyl)hept-2-en-1-(18O)one
SpectraBase Compound ID A9qBJUIe72B
InChI InChI=1S/C18H18N2O/c1-2-8-15(20-16-9-4-3-5-10-16)12-13-18(21)17-11-6-7-14-19-17/h3-7,9-14H,2,8H2,1H3/b13-12+,20-15+/i21+2
InChIKey HVCXIRNRXUDWMM-CMLVHITOSA-N
Mol Weight 280.36 g/mol
Molecular Formula C18H18N218O
Exact Mass 280.146158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQNghPKZh5F
Name 4-phenylimino-1-(2-pyridyl)hept-2-en-1-(18O)one
Comments Original formula: C18H18N2[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c1-2-8-15(20-16-9-4-3-5-10-16)12-13-18(21)17-11-6-7-14-19-17/h3-7,9-14H,2,8H2,1H3/b13-12+,20-15+/i21+2
InChIKey HVCXIRNRXUDWMM-CMLVHITOSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900837
Molecular Weight 280.355 g/mol
SMILES c1cc(C(=[18O])\C=C\C(CCC)=N\c2ccccc2)ncc1
SPLASH splash10-004j-2390000000-6d17448eb26b5dfb1d91
Source of Spectrum ASC-361-SM110-Fig. S13
Wiley ID 1838099