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Dimethyl 3-[2-(3-methoxyphenyl)ethyl]-3,6-epoxycyclohexa-1,4-dien-1,2-dicarboxylate
SpectraBase Compound ID HbMvNmYvw4Z
InChI InChI=1S/C19H20O6/c1-22-13-6-4-5-12(11-13)7-9-19-10-8-14(25-19)15(17(20)23-2)16(19)18(21)24-3/h4-6,8,10-11,14H,7,9H2,1-3H3
InChIKey UXBCAWLSONIFJD-UHFFFAOYSA-N
Mol Weight 344.36 g/mol
Molecular Formula C19H20O6
Exact Mass 344.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7uLYiuxKEer
Name Dimethyl 3-[2-(3-methoxyphenyl)ethyl]-3,6-epoxycyclohexa-1,4-dien-1,2-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 344.125988358 u
Formula C19H20O6
InChI InChI=1S/C19H20O6/c1-22-13-6-4-5-12(11-13)7-9-19-10-8-14(25-19)15(17(20)23-2)16(19)18(21)24-3/h4-6,8,10-11,14H,7,9H2,1-3H3
InChIKey UXBCAWLSONIFJD-UHFFFAOYSA-N
Molecular Weight 344.363 g/mol
SMILES C1(=C(C2(C=CC1O2)CCC=1C=C(C=CC1)OC)C(=O)OC)C(=O)OC