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1-Decyl 2-hexyl phthalate
SpectraBase Compound ID LYrKIrQY9Yi
InChI InChI=1S/C24H38O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey OMQBXAQAHHFSST-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 4Ki6ny4OAq
Name Decylhexylphthalate @
CAS Registry Number 25724-58-7
Classification Softener
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKey OMQBXAQAHHFSST-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 390.564 g/mol
SMILES c1cc(C(OCCCCCC)=O)c(C(OCCCCCCCCCC)=O)cc1
SPLASH splash10-0002-1910000000-ca702ed01c6d8ded460c
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Phthalic acid decylhexyl ester
Technique GC/MS
Wiley ID MMPW6e_6402