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Ethyl cis-2-(4-methoxyphenyl)-1-(pyridin-2-yl)cyclopropane-1-carboxylate
SpectraBase Compound ID JXESpVGlDy7
InChI InChI=1S/C18H19NO3/c1-3-22-17(20)18(16-6-4-5-11-19-16)12-15(18)13-7-9-14(21-2)10-8-13/h4-11,15H,3,12H2,1-2H3/t15-,18-/m0/s1
InChIKey CDOWENZETCXGPM-YJBOKZPZSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IwNWpC6Kfr
Name Ethyl cis-2-(4-methoxyphenyl)-1-(pyridin-2-yl)cyclopropane-1-carboxylate
Appearance Colorless oil
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Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-3-22-17(20)18(16-6-4-5-11-19-16)12-15(18)13-7-9-14(21-2)10-8-13/h4-11,15H,3,12H2,1-2H3/t15-,18-/m0/s1
InChIKey CDOWENZETCXGPM-YJBOKZPZSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 297.354 g/mol
Optical Rotation [a]D20 = -210.2 (c = 0.8, CHCl3)
Quality 167
SMILES [C@]1([C@@](C1)(C1=CC=C(C=C1)OC)[H])(C1=CC=CC=N1)C(OCC)=O
SPLASH splash10-0a4i-0290000000-799064f9d6618bd65eb4
Source of Spectrum C-144-SM40-cis-3ao (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910651