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Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester
SpectraBase Compound ID JCRUoBIdy6X
InChI InChI=1S/C17H19NO6/c19-16(23-12-13-6-2-1-3-7-13)10-11-17(20)24-15-9-5-4-8-14(15)18(21)22/h4-5,8-11,13H,1-3,6-7,12H2/b11-10+
InChIKey QEJAUIYGUWHNKR-ZHACJKMWSA-N
Mol Weight 333.34 g/mol
Molecular Formula C17H19NO6
Exact Mass 333.121237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFL9fS78oNJ
Name Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.121237330 u
Formula C17H19NO6
InChI InChI=1S/C17H19NO6/c19-16(23-12-13-6-2-1-3-7-13)10-11-17(20)24-15-9-5-4-8-14(15)18(21)22/h4-5,8-11,13H,1-3,6-7,12H2/b11-10+
InChIKey QEJAUIYGUWHNKR-ZHACJKMWSA-N
Molecular Weight 333.340 g/mol
SMILES C(\C=C\C(OCC1CCCCC1)=O)(OC1=C(C=CC=C1)N(=O)=O)=O