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Ethyl (5R)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4,5-dihydrofuran-3-carboxylate
SpectraBase Compound ID 4DadgIKtFnk
InChI InChI=1S/C20H19NO6/c1-3-26-20(22)17-12-18(13-6-10-16(25-2)11-7-13)27-19(17)14-4-8-15(9-5-14)21(23)24/h4-11,18H,3,12H2,1-2H3/t18-/m1/s1
InChIKey AXVRYMICUQBNDG-GOSISDBHSA-N
Mol Weight 369.37 g/mol
Molecular Formula C20H19NO6
Exact Mass 369.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zy7XsC4tlR
Name Ethyl (5R)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4,5-dihydrofuran-3-carboxylate
Appearance Yellow oil
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Exact Mass 369.121237330 u
Formula C20H19NO6
InChI InChI=1S/C20H19NO6/c1-3-26-20(22)17-12-18(13-6-10-16(25-2)11-7-13)27-19(17)14-4-8-15(9-5-14)21(23)24/h4-11,18H,3,12H2,1-2H3/t18-/m1/s1
InChIKey AXVRYMICUQBNDG-GOSISDBHSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 369.373 g/mol
Optical Rotation [a]D20 = +65.8 (c = 1.0, CH2Cl2)
Quality 98
Reported Formula C20H19NO6
SMILES [C@@]1(OC(=C(C1)C(=O)OCC)C=1C=CC(=CC1)[N+]([O-])=O)(C1=CC=C(C=C1)OC)[H]
SPLASH splash10-0fka-2907000000-f6e6806beb02d04b05ea
Sample Comments er = 92:8
Source of Spectrum ACI-57-SM36-2k (DOI: 10.1002/anie.201804614)
Wiley ID 1893044