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2-(3-acetyl-2-isoxazolin-5-yl)acetonitrile
SpectraBase Compound ID C2VsGdpbNK0
InChI InChI=1S/C7H8N2O2/c1-5(10)7-4-6(2-3-8)11-9-7/h6H,2,4H2,1H3
InChIKey PQEJOKANIFUCIG-UHFFFAOYSA-N
Mol Weight 152.15 g/mol
Molecular Formula C7H8N2O2
Exact Mass 152.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AruR0y7Y8aH
Name 2-(3-acetyl-2-isoxazolin-5-yl)acetonitrile
Alternate Name(s) 2-(3-acetyl-4,5-dihydro-1,2-oxazol-5-yl)acetonitrile 2-(3-acetyl-4,5-dihydroisoxazol-5-yl)acetonitrile 2-(3-Ethanoyl-4,5-dihydro-1,2-oxazol-5-yl)ethanenitrile
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Formula C7H8N2O2
InChI InChI=1S/C7H8N2O2/c1-5(10)7-4-6(2-3-8)11-9-7/h6H,2,4H2,1H3
InChIKey PQEJOKANIFUCIG-UHFFFAOYSA-N
Molecular Weight 152.153 g/mol
SMILES C1(=NOC(C1)CC#N)C(=O)C
SPLASH splash10-0006-9000000000-31d2bb6ae55ca34d9c24
Source of Spectrum KC-60-1678-7
Wiley ID 1583441