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3-Nitrophthalic acid, bis-(2-ethyl-hexyl ester
SpectraBase Compound ID 1AQ458EmxsW
InChI InChI=1S/C24H37NO6/c1-5-9-12-18(7-3)16-30-23(26)20-14-11-15-21(25(28)29)22(20)24(27)31-17-19(8-4)13-10-6-2/h11,14-15,18-19H,5-10,12-13,16-17H2,1-4H3
InChIKey OMRFQGXADNRBDS-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C24H37NO6
Exact Mass 435.262088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwOIN5V7UJs
Name 3-Nitrophthalic acid, bis-(2-ethyl-hexyl ester
Alternate Name(s) Bis(2-ethylhexyl) 3-nitrophthalate 3-Nitrobenzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester Bis(2-ethylhexyl) 3-nitrobenzene-1,2-dicarboxylate
CAS Registry Number 212896-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H37NO6
InChI InChI=1S/C24H37NO6/c1-5-9-12-18(7-3)16-30-23(26)20-14-11-15-21(25(28)29)22(20)24(27)31-17-19(8-4)13-10-6-2/h11,14-15,18-19H,5-10,12-13,16-17H2,1-4H3
InChIKey OMRFQGXADNRBDS-UHFFFAOYSA-N
Molecular Weight 435.561 g/mol
SMILES c1(N(=O)=O)c(c(ccc1)C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC
SPLASH splash10-06xx-9300000000-eb26545873a7aae208c6
Wiley ID 1481905