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2-Cyanonaphtho[1,2-d][1,3]oxazole

View entire compound with spectra: 2 MS (GC)

2-Cyanonaphtho[1,2-d][1,3]oxazole
SpectraBase Compound ID 5wmdzDQDA4U
InChI InChI=1S/C12H6N2O/c13-7-11-14-12-9-4-2-1-3-8(9)5-6-10(12)15-11/h1-6H
InChIKey ZOZWULWTWGQGSZ-UHFFFAOYSA-N
Mol Weight 194.19 g/mol
Molecular Formula C12H6N2O
Exact Mass 194.048013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fMv2f8sJUw
Name 2-Cyanonaphtho[1,2-d][1,3]oxazole
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.048012820 u
Formula C12H6N2O
InChI InChI=1S/C12H6N2O/c13-7-11-14-12-9-4-2-1-3-8(9)5-6-10(12)15-11/h1-6H
InChIKey ZOZWULWTWGQGSZ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/jo3022956
Molecular Weight 194.193 g/mol
Quality 162
Reported Formula C12H6N2O
SMILES C(#N)C=1OC2=C(N1)C1=C(C=C2)C=CC=C1
SPLASH splash10-0006-0900000000-72a67c4470e870727b48
Source of Spectrum JOC-78-164-3o (DOI: 10.1021/jo3022956)
Thin-Layer Chromatography 0.45 (cyclohexane/EtOAc, 3:1)
Wiley ID 1911630