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4-Bromophenyl (R)-5-(6-methoxynaphthalen-2-yl)-2-methyl-4,5-dihydrofuran-3-carboxylate
SpectraBase Compound ID D3Hb83tikQ4
InChI InChI=1S/C23H19BrO4/c1-14-21(23(25)28-19-9-6-18(24)7-10-19)13-22(27-14)17-4-3-16-12-20(26-2)8-5-15(16)11-17/h3-12,22H,13H2,1-2H3/t22-/m1/s1
InChIKey ZINQNWXXLMOYCT-JOCHJYFZSA-N
Mol Weight 439.31 g/mol
Molecular Formula C23H19BrO4
Exact Mass 438.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoCW1GYmBmt
Name 4-Bromophenyl (R)-5-(6-methoxynaphthalen-2-yl)-2-methyl-4,5-dihydrofuran-3-carboxylate
Appearance White solid
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Exact Mass 438.046672088 u
Formula C23H19BrO4
InChI InChI=1S/C23H19BrO4/c1-14-21(23(25)28-19-9-6-18(24)7-10-19)13-22(27-14)17-4-3-16-12-20(26-2)8-5-15(16)11-17/h3-12,22H,13H2,1-2H3/t22-/m1/s1
InChIKey ZINQNWXXLMOYCT-JOCHJYFZSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 439.305 g/mol
Optical Rotation [a]D20 = -91.8 (c = 0.43, CH2Cl2)
Quality 37
Reported Formula C23H19O4Br
SMILES C1(Br)=CC=C(C=C1)OC(=O)C1=C(O[C@](C1)(C1=CC2=C(C=C1)C=C(C=C2)OC)[H])C
SPLASH splash10-014i-0190000000-d76fdfed5c08b3f5155b
Sample Comments er = 89:11
Source of Spectrum ACI-57-SM46-6 (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.50 (petroleum ether/EtOAc, 9:1)
Wiley ID 1893065