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4-Oxo-4H-3,1-benzoxazine-2-carbonitrile

View entire compound with spectra: 1 MS (GC)

4-Oxo-4H-3,1-benzoxazine-2-carbonitrile
SpectraBase Compound ID I0wOlG27mm5
InChI InChI=1S/C9H4N2O2/c10-5-8-11-7-4-2-1-3-6(7)9(12)13-8/h1-4H
InChIKey ZUTPFYRGVAQQOA-UHFFFAOYSA-N
Mol Weight 172.14 g/mol
Molecular Formula C9H4N2O2
Exact Mass 172.027277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDHfmfxfB9K
Name 4-Oxo-4H-3,1-benzoxazine-2-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4N2O2
InChI InChI=1S/C9H4N2O2/c10-5-8-11-7-4-2-1-3-6(7)9(12)13-8/h1-4H
InChIKey ZUTPFYRGVAQQOA-UHFFFAOYSA-N
Molecular Weight 172.143 g/mol
SMILES C1(OC(C#N)=Nc2c1cccc2)=O
SPLASH splash10-006w-1900000000-092d73aa62eae482d221
Source of Spectrum KC-0-2100-5
Synonyms 4-Oxo-3,1-benzoxazine-2-carbonitrile 4-Oxidanylidene-3,1-benzoxazine-2-carbonitrile
Wiley ID 784367