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Isopropyl (1R,2R)-1-acetyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
SpectraBase Compound ID LK1S99ADQDj
InChI InChI=1S/C16H20O4/c1-10(2)20-15(18)16(11(3)17)9-14(16)12-5-7-13(19-4)8-6-12/h5-8,10,14H,9H2,1-4H3/t14-,16+/m1/s1
InChIKey GAMOHYSOTWXNFQ-ZBFHGGJFSA-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 CpeAPvi43h
Name Isopropyl (1R,2R)-1-acetyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
Appearance Pale yellow oil
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-10(2)20-15(18)16(11(3)17)9-14(16)12-5-7-13(19-4)8-6-12/h5-8,10,14H,9H2,1-4H3/t14-,16+/m1/s1
InChIKey GAMOHYSOTWXNFQ-ZBFHGGJFSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Quality 199
Reported Formula C16H20O4
SMILES C1=CC(=CC=C1OC)[C@@]1([C@@](C1)(C(=O)OC(C)C)C(C)=O)[H]
SPLASH splash10-0gba-0690000000-ba352a3b9b6ed7291aea
Sample Comments dr > 20:1
Source of Spectrum ACI-57-SM10-1e (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.60 (petroleum ether/EtOAc, 8:2)
Wiley ID 1893022