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Benzyl (1R,2R)-1-acetyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
SpectraBase Compound ID 6EznSLR9Nju
InChI InChI=1S/C20H20O4/c1-14(21)20(19(22)24-13-15-6-4-3-5-7-15)12-18(20)16-8-10-17(23-2)11-9-16/h3-11,18H,12-13H2,1-2H3/t18-,20+/m1/s1
InChIKey NUIXPYLAOVUOMC-QUCCMNQESA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSqWF7Y0H7j
Name Benzyl (1R,2R)-1-acetyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-14(21)20(19(22)24-13-15-6-4-3-5-7-15)12-18(20)16-8-10-17(23-2)11-9-16/h3-11,18H,12-13H2,1-2H3/t18-,20+/m1/s1
InChIKey NUIXPYLAOVUOMC-QUCCMNQESA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 324.376 g/mol
Quality 86
Reported Formula C20H20O4
SMILES C1=CC(=CC=C1OC)[C@@]1([C@@](C1)(C(=O)OCC1=CC=CC=C1)C(C)=O)[H]
SPLASH splash10-0006-9010000000-cb3411829694585339e4
Sample Comments dr > 20:1
Source of Spectrum ACI-57-SM8-1a (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.50 (petroleum ether/EtOAc, 8:2)
Wiley ID 1893018