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2-(Perhydroazepin-1'-yl) benzonitrile oxide
SpectraBase Compound ID LYrmzUbpILU
InChI InChI=1S/C13H16N2O/c16-14-11-12-7-3-4-8-13(12)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey REQSPPXDDBNIHJ-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C13H16N2O
Exact Mass 216.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0OCTDlsiE7
Name 2-(Perhydroazepin-1'-yl) benzonitrile oxide
CAS Registry Number 140410-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O
InChI InChI=1S/C13H16N2O/c16-14-11-12-7-3-4-8-13(12)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey REQSPPXDDBNIHJ-UHFFFAOYSA-N
Molecular Weight 216.284 g/mol
SMILES C(#[N+][O-])c1c(N2CCCCCC2)cccc1
SPLASH splash10-001i-0900000000-67a42a4cd4401f53714b
Source of Spectrum K-125-1847-5
Synonyms 2-Hexahydro-1H-azepin-1-ylbenzonitrile oxide
Wiley ID 1215782