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Ethyl trans-1-(2-formylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
SpectraBase Compound ID L9pzZ5mjKYf
InChI InChI=1S/C20H20O4/c1-3-24-19(22)20(17-7-5-4-6-15(17)13-21)12-18(20)14-8-10-16(23-2)11-9-14/h4-11,13,18H,3,12H2,1-2H3/t18-,20-/m1/s1
InChIKey MOHWRUPVGLIZDC-UYAOXDASSA-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 9DtMQ5eI1FP
Name Ethyl trans-1-(2-formylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-3-24-19(22)20(17-7-5-4-6-15(17)13-21)12-18(20)14-8-10-16(23-2)11-9-14/h4-11,13,18H,3,12H2,1-2H3/t18-,20-/m1/s1
InChIKey MOHWRUPVGLIZDC-UYAOXDASSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 324.376 g/mol
Optical Rotation [a]D20 = 37.8 (c = 1.0, CHCl3)
Quality 198
SMILES [C@]1([C@](C1)(C1=CC=C(C=C1)OC)[H])(C1=CC=CC=C1C=O)C(OCC)=O
SPLASH splash10-003u-1950000000-711416b3a0181027495b
Source of Spectrum C-144-SM46-trans-3am (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910671