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Piperonylonitrile

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 6 MS (GC)

Piperonylonitrile
SpectraBase Compound ID AQ0E01wDFeh
InChI InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChIKey PKRWWZCDLJSJIF-UHFFFAOYSA-N
Mol Weight 147.13 g/mol
Molecular Formula C8H5NO2
Exact Mass 147.032028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LjhDTFJr7PF
Name Piperonylonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 115649
CAS Registry Number 4421-09-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2
InChI InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChIKey PKRWWZCDLJSJIF-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,4-(Methylenedioxy)benzonitrile
Wiley ID SIAL_1HNMR_000439