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Ethyl cis-2-(4-methoxyphenyl)-1-methylcyclopropane-1-carboxylate
SpectraBase Compound ID 9Wde2t18J6i
InChI InChI=1S/C14H18O3/c1-4-17-13(15)14(2)9-12(14)10-5-7-11(16-3)8-6-10/h5-8,12H,4,9H2,1-3H3/t12-,14-/m1/s1
InChIKey IHXDUIGWGKMOAN-TZMCWYRMSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qvwMMfzdXJ
Name Ethyl cis-2-(4-methoxyphenyl)-1-methylcyclopropane-1-carboxylate
Appearance Pale yellow oil
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Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-4-17-13(15)14(2)9-12(14)10-5-7-11(16-3)8-6-10/h5-8,12H,4,9H2,1-3H3/t12-,14-/m1/s1
InChIKey IHXDUIGWGKMOAN-TZMCWYRMSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 234.295 g/mol
Optical Rotation [a]D20 = +71.8 (c = 1.0, CHCl3)
Quality 219
SMILES [C@]1([C@](C1)(C=1C=CC(=CC1)OC)[H])(C(=O)OCC)C
SPLASH splash10-03di-1900000000-e5e3dbcb5d1c20ab1992
Source of Spectrum C-144-SM52-ent-9a (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910664