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Diisononyl phthalate
SpectraBase Compound ID A1W3lg1exvs
InChI InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChIKey HBGGXOJOCNVPFY-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgWZm4vUIcU
Name 1,2-Benzenedicarboxylic acid, bis(7-methyloctyl) ester
CAS Registry Number 28553-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChIKey HBGGXOJOCNVPFY-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES c1(c(C(=O)OCCCCCCC(C)C)cccc1)C(=O)OCCCCCCC(C)C
SPLASH splash10-052e-9400000000-e7c30399ad6a6792ba37
Source of Spectrum W5-0-0-0
Synonyms benzene-1,2-dicarboxylic acid bis(7-methyloctyl) ester bis(7-methyloctyl) benzene-1,2-dicarboxylate Bis(7-methyloctyl) phthalate Diisononyl phthalate Phthalic acid, bis(7-methyloctyl) ester
Wiley ID 1377392