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Benzoic acid, 4-chloro-3-nitro-, 2,4-bis(1,1-dimethylpropyl)phenyl ester
SpectraBase Compound ID F1ROXn4twve
InChI InChI=1S/C23H28ClNO4/c1-7-22(3,4)16-10-12-20(17(14-16)23(5,6)8-2)29-21(26)15-9-11-18(24)19(13-15)25(27)28/h9-14H,7-8H2,1-6H3
InChIKey RRFABMVWXXSXHN-UHFFFAOYSA-N
Mol Weight 417.93 g/mol
Molecular Formula C23H28ClNO4
Exact Mass 417.170686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxC1ihQBHSK
Name Benzoic acid, 4-chloro-3-nitro-, 2,4-bis(1,1-dimethylpropyl)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28ClNO4
InChI InChI=1S/C23H28ClNO4/c1-7-22(3,4)16-10-12-20(17(14-16)23(5,6)8-2)29-21(26)15-9-11-18(24)19(13-15)25(27)28/h9-14H,7-8H2,1-6H3
InChIKey RRFABMVWXXSXHN-UHFFFAOYSA-N
Molecular Weight 417.933 g/mol
SMILES CCC(C)(C)c1ccc(OC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(c1)C(C)(C)CC
SPLASH splash10-000i-3908000000-167f3e87af2fd301a940
Source of Spectrum JX-2015-4-237
Synonyms 2,4-Di-tert-pentylphenyl 4-chloro-3-nitrobenzoate 2,4-Bis(2-methylbutan-2-yl)phenyl 4-chloro-3-nitrobenzoate 4-Chloro-3-nitrobenzoic acid [2,4-bis(2-methylbutan-2-yl)phenyl] ester [2,4-bis(2-methylbutan-2-yl)phenyl] 4-chloro-3-nitrobenzoate [2,4-bis(1,1-dimethylpropyl)phenyl] 4-chloro-3-nitro-benzoate [2,4-bis(2-methylbutan-2-yl)phenyl] 4-chloranyl-3-nitro-benzoate
Wiley ID 1725685