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trans-4-Chloro-3-nitrocinnamic acid

View entire compound with spectra: 5 NMR, and 2 FTIR

trans-4-Chloro-3-nitrocinnamic acid
SpectraBase Compound ID 5tKJByOgFp
InChI InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+
InChIKey QBDALTIMHOITIU-DUXPYHPUSA-N
Mol Weight 227.6 g/mol
Molecular Formula C9H6ClNO4
Exact Mass 226.998535 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F8jPvAh0u7Y
Name trans-4-Chloro-3-nitrocinnamic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 300667
CAS Registry Number 20797-48-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClNO4
InChI InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+
InChIKey QBDALTIMHOITIU-DUXPYHPUSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005850