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UVKXJAUUKPDDNW-NSCUHMNNSA-N

View entire compound with spectra: 4 NMR, 3 FTIR, and 1 MS (GC)

UVKXJAUUKPDDNW-NSCUHMNNSA-N
SpectraBase Compound ID DDornINEoQ1
InChI InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
InChIKey UVKXJAUUKPDDNW-NSCUHMNNSA-N
Mol Weight 81.12 g/mol
Molecular Formula C5H7N
Exact Mass 81.057849 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FpVcnk3nnCh
Name 3-Pentenenitrile, predominately trans
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 306118
CAS Registry Number 16529-66-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7N
InChI InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
InChIKey UVKXJAUUKPDDNW-NSCUHMNNSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_006092