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1-(4-TOLYL)-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXACINE-5-CARBONITRILE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-TOLYL)-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXACINE-5-CARBONITRILE
SpectraBase Compound ID 5fgPEZGBCGe
InChI InChI=1S/C18H18N2O/c1-14-6-8-15(9-7-14)18-17-5-3-2-4-16(17)12-20(13-19)10-11-21-18/h2-9,18H,10-12H2,1H3
InChIKey TWHJKIFQIQWVHT-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C18H18N2O
Exact Mass 278.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsyPuYt6oVw
Name 1-(p-Tolyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine-5-carbonitrile
Alternate Name(s) 5-cyano-1-(4-methylphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c1-14-6-8-15(9-7-14)18-17-5-3-2-4-16(17)12-20(13-19)10-11-21-18/h2-9,18H,10-12H2,1H3
InChIKey TWHJKIFQIQWVHT-UHFFFAOYSA-N
Molecular Weight 278.355 g/mol
SMILES C1(OCCN(Cc2c1cccc2)C#N)c1ccc(cc1)C
SPLASH splash10-004i-2950000000-42a275c70393b1964743
Source of Spectrum B-55-582-2
Wiley ID 1517059