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(4-Nitrophenyl)acetonitrile
SpectraBase Compound ID 8UXSzTmIqK2
InChI InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChIKey PXNJGLAVKOXITN-UHFFFAOYSA-N
Mol Weight 162.15 g/mol
Molecular Formula C8H6N2O2
Exact Mass 162.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ic3Hvut1Hg
Name Benzeneacetonitrile, 4-nitro-
Alternate Name(s) (4-Nitrophenyl)acetonitrile (p-Nitrobenzene)acetonitrile (p-Nitrophenyl)acetonitrile 2-(4-Nitrophenyl)acetonitrile 2-(4-Nitrophenyl)ethanenitrile 4-Nitro-benzyl-cyanid 4-Nitrobenzeneacetonitrile 4-Nitrobenzyl cyanide Acetonitrile, (p-nitrophenyl)- p-Nitro-.alpha.-tolunitrile p-Nitrobenzyl cyanide AI3-23875 BRN 0388442 EINECS 209-085-0 NSC 5396
CAS Registry Number 555-21-5
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Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChIKey PXNJGLAVKOXITN-UHFFFAOYSA-N
Molecular Weight 162.148 g/mol
SMILES c1(ccc(CC#N)cc1)N(=O)=O
SPLASH splash10-029i-9600000000-be8200c886f4b711416b
Wiley ID 1474350