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Ethyl cis-1-allyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
SpectraBase Compound ID 8g9EraDmETt
InChI InChI=1S/C16H20O3/c1-4-10-16(15(17)19-5-2)11-14(16)12-6-8-13(18-3)9-7-12/h4,6-9,14H,1,5,10-11H2,2-3H3/t14-,16-/m0/s1
InChIKey CSFIUIYRRFZPBH-HOCLYGCPSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uSygUVghKQ
Name Ethyl cis-1-allyl-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
Appearance Colorless oil
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Exact Mass 260.141244501 u
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-4-10-16(15(17)19-5-2)11-14(16)12-6-8-13(18-3)9-7-12/h4,6-9,14H,1,5,10-11H2,2-3H3/t14-,16-/m0/s1
InChIKey CSFIUIYRRFZPBH-HOCLYGCPSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 260.333 g/mol
Optical Rotation [a]D20 = -87.0 (c = 1.0, CHCl3)
Quality 256
SMILES [C@]1([C@@](C1)(C=1C=CC(=CC1)OC)[H])(CC=C)C(=O)OCC
SPLASH splash10-000b-0900000000-5321f20bcce3ba64e7f8
Source of Spectrum C-144-SM54-9c (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910641