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1-PHENYL-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXACINE-5-CARBONITRILE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-PHENYL-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXACINE-5-CARBONITRILE
SpectraBase Compound ID 2WmWBxYA70Y
InChI InChI=1S/C17H16N2O/c18-13-19-10-11-20-17(14-6-2-1-3-7-14)16-9-5-4-8-15(16)12-19/h1-9,17H,10-12H2
InChIKey QVNMALVESUWGGZ-UHFFFAOYSA-N
Mol Weight 264.33 g/mol
Molecular Formula C17H16N2O
Exact Mass 264.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2lH7oRjXdd
Name 1-Phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-5-carbonitrile
Alternate Name(s) 1-Phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine-5-carbonitrile
CAS Registry Number 84940-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O
InChI InChI=1S/C17H16N2O/c18-13-19-10-11-20-17(14-6-2-1-3-7-14)16-9-5-4-8-15(16)12-19/h1-9,17H,10-12H2
InChIKey QVNMALVESUWGGZ-UHFFFAOYSA-N
Molecular Weight 264.328 g/mol
SMILES C(N1Cc2c(cccc2)C(OCC1)c1ccccc1)#N
SPLASH splash10-004i-1930000000-c68c0227448f9562af21
Source of Spectrum B-55-581-2
Wiley ID 1517060