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Citronitrile, mixture of cis and trans

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 5 MS (GC)

Citronitrile, mixture of cis and trans
SpectraBase Compound ID Ht6SznV6qvB
InChI InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+
InChIKey QELCXXZZKSRBET-PKNBQFBNSA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9suFZ9DEIfh
Name Citronitrile, mixture of cis and trans
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 224472
CAS Registry Number 4786-20-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+
InChIKey QELCXXZZKSRBET-PKNBQFBNSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_003344