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LADCKIXFXIKHQM-UHFFFAOYSA-N

View entire compound with spectra: 30 NMR, 2 FTIR, and 3 MS (GC)

LADCKIXFXIKHQM-UHFFFAOYSA-N
SpectraBase Compound ID KOI8kwFezLD
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
InChIKey LADCKIXFXIKHQM-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1CV6jc7sDcH
Name 2,4,6-Cycloheptatriene-1-carbonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 393320
CAS Registry Number 13612-59-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N
InChI 1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
InChIKey LADCKIXFXIKHQM-UHFFFAOYSA-N
Observed nucleus 1H
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_008582