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trans-4-pyridineacrolein, oxalate(1.1) (salt)

View entire compound with spectra: 3 NMR, and 1 FTIR

trans-4-pyridineacrolein, oxalate(1.1) (salt)
SpectraBase Compound ID ACSeJqwm8Sm
InChI InChI=1S/C8H7NO.C2H2O4/c10-7-1-2-8-3-5-9-6-4-8;3-1(4)2(5)6/h1-7H;(H,3,4)(H,5,6)/b2-1+;
InChIKey NSTHNVMITOXEJZ-TYYBGVCCSA-N
Mol Weight 223.18 g/mol
Molecular Formula C10H9NO5
Exact Mass 223.048072 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H8xLbwrKIc2
Name trans-4-PYRIDINEACROLEIN, OXALATE (1:1) (SALT)
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO + C2H2O4
InChI InChI=1S/C8H7NO.C2H2O4/c10-7-1-2-8-3-5-9-6-4-8;3-1(4)2(5)6/h1-7H;(H,3,4)(H,5,6)/b2-1+;
InChIKey NSTHNVMITOXEJZ-TYYBGVCCSA-N
Instrument Name BRUKER AC-300
Melting Point 180C
Molecular Weight 223.19
Solvent DMSO-d6; Reference=TMS; Temperature 297K