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(4-Nitrophenyl)acetonitrile

View entire compound with spectra: 7 NMR, 6 FTIR, 2 Raman, and 7 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H4rAXQ7nuKn
Name 4-Nitrophenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 151572
CAS Registry Number 555-21-5
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O2
InChI 1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChIKey PXNJGLAVKOXITN-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Nitrobenzyl cyanide
Wiley ID SIAL_13CNMR_001544