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Benzoic acid, 4-chloro-3-nitro-, 4-(1,1-dimethylpropyl)phenyl ester
SpectraBase Compound ID FANnWeJB67O
InChI InChI=1S/C18H18ClNO4/c1-4-18(2,3)13-6-8-14(9-7-13)24-17(21)12-5-10-15(19)16(11-12)20(22)23/h5-11H,4H2,1-3H3
InChIKey OSBWAGSAWXLQGP-UHFFFAOYSA-N
Mol Weight 347.8 g/mol
Molecular Formula C18H18ClNO4
Exact Mass 347.092436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbdkFDKRtnI
Name Benzoic acid, 4-chloro-3-nitro-, 4-(1,1-dimethylpropyl)phenyl ester
Alternate Name(s) 4-(tert-pentyl)phenyl 4-chloro-3-nitrobenzoate 4-(2-Methylbutan-2-yl)phenyl 4-chloro-3-nitrobenzoate 4-Chloro-3-nitrobenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester [4-(2-methylbutan-2-yl)phenyl] 4-chloro-3-nitrobenzoate [4-(1,1-dimethylpropyl)phenyl] 4-chloro-3-nitro-benzoate [4-(2-methylbutan-2-yl)phenyl] 4-chloranyl-3-nitro-benzoate
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Formula C18H18ClNO4
InChI InChI=1S/C18H18ClNO4/c1-4-18(2,3)13-6-8-14(9-7-13)24-17(21)12-5-10-15(19)16(11-12)20(22)23/h5-11H,4H2,1-3H3
InChIKey OSBWAGSAWXLQGP-UHFFFAOYSA-N
Molecular Weight 347.798 g/mol
SMILES CCC(C)(C)c1ccc(OC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
SPLASH splash10-0159-0809000000-0abd402aa34141b0e574
Source of Spectrum JX-2015-3-1002
Wiley ID 1724526