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1-Methyl-4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridine oxalate salt

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

1-Methyl-4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridine oxalate salt
SpectraBase Compound ID 9tApvJXClbX
InChI InChI=1S/C12H15NO.C2H2O4/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10;3-1(4)2(5)6/h2-6,14H,7-9H2,1H3;(H,3,4)(H,5,6)
InChIKey VYFRXLCITVGMGC-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Xa5ICD72Y
Name 1-Methyl-4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridine oxalate salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.110672646 u
Formula C14H17NO5
InChI InChI=1S/C12H15NO.C2H2O4/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10;3-1(4)2(5)6/h2-6,14H,7-9H2,1H3;(H,3,4)(H,5,6)
InChIKey VYFRXLCITVGMGC-UHFFFAOYSA-N
Molecular Weight 279.292 g/mol
SMILES C(C(=O)O)(=O)O.C1(=CCN(CC1)C)C=1C=CC(=CC1)O