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Dioctylphthalate
SpectraBase Compound ID 1FOvyJn2i1i
InChI InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey MQIUGAXCHLFZKX-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGHqyIqmXSq
Name Dioctyl phthalate
CAS Registry Number 117-84-0
Classification Softener
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey MQIUGAXCHLFZKX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 390.564 g/mol
Nominal Mass 390 u
Quality 997
Retention Index 2515
SMILES C=1(C(C(OCCCCCCCC)=O)=CC=CC1)C(OCCCCCCCC)=O
SPLASH splash10-0002-7900000000-7494f4e494a163a91b35
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms DNOP DOP Dinopol NOP n-Dioctyl Phthalate n-Octyl Phthalate dioctylbenzene-1,2-dicarboxylate
Technique GC/MS
Wiley ID DD2024_001193