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Benzoylacetonitrile

View entire compound with spectra: 11 NMR, 6 FTIR, and 5 MS (GC)

Benzoylacetonitrile
SpectraBase Compound ID 37wjT59YLXq
InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
Mol Weight 145.16 g/mol
Molecular Formula C9H7NO
Exact Mass 145.052764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmJpUXU8nq1
Name Benzoylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 272728
CAS Registry Number 614-16-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO
InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms beta-Oxohydrocinnamonitrile
Wiley ID SIAL_1HNMR_004919