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2-Ethylhexyl p-nitrobenzoate
SpectraBase Compound ID BmZXBqtqtYb
InChI InChI=1S/C15H21NO4/c1-3-5-6-12(4-2)11-20-15(17)13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3
InChIKey NPSJHQMIVNJLNN-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LXbzCbzEVb
Name 2-Ethylhexyl 4-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid, 2-ethylhexyl ester
CAS Registry Number 16397-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-3-5-6-12(4-2)11-20-15(17)13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3
InChIKey NPSJHQMIVNJLNN-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES C(COC(c1ccc(cc1)N(=O)=O)=O)(CC)CCCC
SPLASH splash10-0uk9-9700000000-3f972be02c83989af67b
Source of Spectrum NP-8-8518-0
Wiley ID 1107669