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Benzyl (1R,2R)-1-acetyl-2-(benzo-1,3-dioxol-5-yl)cyclopropane-1-carboxylate
SpectraBase Compound ID FYDRnV6toUi
InChI InChI=1S/C20H18O5/c1-13(21)20(19(22)23-11-14-5-3-2-4-6-14)10-16(20)15-7-8-17-18(9-15)25-12-24-17/h2-9,16H,10-12H2,1H3/t16-,20+/m1/s1
InChIKey ZVGLOPVVGRSDIW-UZLBHIALSA-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 1N5TpvThgps
Name Benzyl (1R,2R)-1-acetyl-2-(benzo-1,3-dioxol-5-yl)cyclopropane-1-carboxylate
Appearance White solid
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Exact Mass 338.115423675 u
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-13(21)20(19(22)23-11-14-5-3-2-4-6-14)10-16(20)15-7-8-17-18(9-15)25-12-24-17/h2-9,16H,10-12H2,1H3/t16-,20+/m1/s1
InChIKey ZVGLOPVVGRSDIW-UZLBHIALSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 338.359 g/mol
Quality 98
Reported Formula C20H18O5
SMILES C12=CC(=CC=C2OCO1)[C@@]1([C@@](C1)(C(=O)OCC1=CC=CC=C1)C(C)=O)[H]
SPLASH splash10-0006-9000000000-20c13f5fbd9366d9647d
Sample Comments dr > 20:1
Source of Spectrum ACI-57-SM19-1q (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.50 (dichloromethane)
Wiley ID 1893034