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Ethyl cis-2-(4-methoxyphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxylate
SpectraBase Compound ID FrmwDAf9ebb
InChI InChI=1S/C19H19NO5/c1-3-25-18(21)19(14-6-8-15(9-7-14)20(22)23)12-17(19)13-4-10-16(24-2)11-5-13/h4-11,17H,3,12H2,1-2H3/t17-,19+/m0/s1
InChIKey VQHAWXCBCLYIBZ-PKOBYXMFSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Tb4rEBERBv
Name Ethyl cis-2-(4-methoxyphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxylate
Appearance Light yellow oil
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Exact Mass 341.126322711 u
Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-3-25-18(21)19(14-6-8-15(9-7-14)20(22)23)12-17(19)13-4-10-16(24-2)11-5-13/h4-11,17H,3,12H2,1-2H3/t17-,19+/m0/s1
InChIKey VQHAWXCBCLYIBZ-PKOBYXMFSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 341.363 g/mol
Optical Rotation [a]D20 = -200.5 (c = 1.0, CHCl3)
Quality 222
SMILES [C@@]1([C@@](C1)(C1=CC=C(C=C1)OC)[H])(C(OCC)=O)C1=CC=C(C=C1)[N+]([O-])=O
SPLASH splash10-02i7-1395000000-442e245c472896625d18
Source of Spectrum C-144-SM37-cis-3af (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910648