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Benzyl (5R)-5-(benzo[d][1,3]dioxol-5-yl)-2-methyl-4,5-dihydrofuran-3-carboxylate
SpectraBase Compound ID 627me66ga6I
InChI InChI=1S/C20H18O5/c1-13-16(20(21)22-11-14-5-3-2-4-6-14)10-18(25-13)15-7-8-17-19(9-15)24-12-23-17/h2-9,18H,10-12H2,1H3/t18-/m1/s1
InChIKey SDDPJHSTHRDHID-GOSISDBHSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhoTayhN3sZ
Name Benzyl (5R)-5-(benzo[d][1,3]dioxol-5-yl)-2-methyl-4,5-dihydrofuran-3-carboxylate
Appearance Yellow oil
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Exact Mass 338.115423675 u
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-13-16(20(21)22-11-14-5-3-2-4-6-14)10-18(25-13)15-7-8-17-19(9-15)24-12-23-17/h2-9,18H,10-12H2,1H3/t18-/m1/s1
InChIKey SDDPJHSTHRDHID-GOSISDBHSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 338.359 g/mol
Optical Rotation [a]D20 = -60.6 (c = 0.9, CH2Cl2)
Quality 126
Reported Formula C20H18O5
SMILES [C@@]1(OC(=C(C1)C(=O)OCC1=CC=CC=C1)C)(C1=CC=C2C(=C1)OCO2)[H]
SPLASH splash10-0006-9000000000-9b03258424e948e9fd07
Sample Comments er = 15:85
Source of Spectrum ACI-57-SM39-2q (DOI: 10.1002/anie.201804614)
Wiley ID 1893050