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ethyl (1R,2R)-2-(4-methoxyphenyl)-1-propanoyl-cyclopropanecarboxylate
SpectraBase Compound ID HBC7SB7NsxM
InChI InChI=1S/C16H20O4/c1-4-14(17)16(15(18)20-5-2)10-13(16)11-6-8-12(19-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-,16-/m1/s1
InChIKey HJAMSUPECUQTEG-CZUORRHYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXC44jHmpio
Name ethyl (1R,2R)-2-(4-methoxyphenyl)-1-propanoyl-cyclopropanecarboxylate
Appearance Pale yellow oil
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-4-14(17)16(15(18)20-5-2)10-13(16)11-6-8-12(19-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-,16-/m1/s1
InChIKey HJAMSUPECUQTEG-CZUORRHYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Quality 222
Reported Formula C16H20O4
SMILES C1=CC(=CC=C1OC)[C@@]1([C@@](C1)(C(=O)OCC)C(CC)=O)[H]
SPLASH splash10-0ue9-1490000000-bd8d8980f463399b1b8c
Sample Comments dr = 3.4:1
Source of Spectrum ACI-57-SM12-1g (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.60 (petroleum ether/EtOAc, 8:2)
Wiley ID 1893024