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Cyclopropanecarboxylic acid, 2-(4-chlorophenyl)-1-(4-nitrophenyl)-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID 9VWQX2TciIp
InChI InChI=1S/C17H14ClNO4/c1-23-16(20)17(12-4-8-14(9-5-12)19(21)22)10-15(17)11-2-6-13(18)7-3-11/h2-9,15H,10H2,1H3
InChIKey ILSSZRFWJSQMIL-UHFFFAOYSA-N
Mol Weight 331.76 g/mol
Molecular Formula C17H14ClNO4
Exact Mass 331.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9vX4MgO8hQ
Name Cyclopropanecarboxylic acid, 2-(4-chlorophenyl)-1-(4-nitrophenyl)-, methyl ester, trans-(.+-.)-
Alternate Name(s) Anti-1-(p-nitrophenyl)-2-(p-chloro-phenyl)-1-(methoxycarbonyl)cyclopropane methyl 2-(4-chlorophenyl)-1-(4-nitrophenyl)cyclopropanecarboxylate
CAS Registry Number 129942-24-1
Comments Less than 3 mono-isotopic peaks
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Formula C17H14ClNO4
InChI InChI=1S/C17H14ClNO4/c1-23-16(20)17(12-4-8-14(9-5-12)19(21)22)10-15(17)11-2-6-13(18)7-3-11/h2-9,15H,10H2,1H3
InChIKey ILSSZRFWJSQMIL-UHFFFAOYSA-N
Molecular Weight 331.755 g/mol
SMILES C1(C(c2ccc(cc2)Cl)C1)(C(=O)OC)c1ccc(N(=O)=O)cc1
SPLASH splash10-0a4r-0900000000-66a75a72925b2cded468
Source of Spectrum C-112-7701-23
Wiley ID 1328607