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Benzyl (5R)-5-(4-methoxy-3-methylphenyl)-2-methyl-4,5-dihydrofuran-3-carboxylate
SpectraBase Compound ID 53Ia4klGc6G
InChI InChI=1S/C21H22O4/c1-14-11-17(9-10-19(14)23-3)20-12-18(15(2)25-20)21(22)24-13-16-7-5-4-6-8-16/h4-11,20H,12-13H2,1-3H3/t20-/m1/s1
InChIKey PAZSTQHKUNURCQ-HXUWFJFHSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtuRBqHooIF
Name Benzyl (5R)-5-(4-methoxy-3-methylphenyl)-2-methyl-4,5-dihydrofuran-3-carboxylate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-14-11-17(9-10-19(14)23-3)20-12-18(15(2)25-20)21(22)24-13-16-7-5-4-6-8-16/h4-11,20H,12-13H2,1-3H3/t20-/m1/s1
InChIKey PAZSTQHKUNURCQ-HXUWFJFHSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 338.403 g/mol
Optical Rotation [a]D20 = -62.2 (c = 1.0, CH2Cl2)
Quality 61
SMILES [C@@]1(OC(=C(C1)C(=O)OCC1=CC=CC=C1)C)(C1=CC=C(C(=C1)C)OC)[H]
SPLASH splash10-0006-9010000000-a3e4307c08663339f4ad
Sample Comments er = 5:95
Source of Spectrum ACI-57-SM38-2o (DOI: 10.1002/anie.201804614)
Wiley ID 1893048