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bicyclo[4.2.0]octa-1,3,5-triene-8-carbonitrile

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

bicyclo[4.2.0]octa-1,3,5-triene-8-carbonitrile
SpectraBase Compound ID JBhXEtXgHIj
InChI InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2
InChIKey FJIDKRPZJBUHME-UHFFFAOYSA-N
Mol Weight 129.16 g/mol
Molecular Formula C9H7N
Exact Mass 129.057849 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3RML6IOY0DV
Name 1-Benzocyclobutenecarbonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 324892
CAS Registry Number 6809-91-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N
InChI InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2
InChIKey FJIDKRPZJBUHME-UHFFFAOYSA-N
Observed nucleus 1H
Purity >=95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006400