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DI-n-OCTYL ADIPATE

View entire compound with spectra: 3 FTIR, and 15 MS (GC)

DI-n-OCTYL ADIPATE
SpectraBase Compound ID DkUJKqF0Ipt
InChI InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey NEHDRDVHPTWWFG-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFef9AmYr86
Name Hexanedioic acid, dioctyl ester
Alternate Name(s) Dioctyl hexanedioate Adiimoll DO Adimoll DO Adipic acid, dioctyl ester Di-n-octyl adipate Dicaprylyl adipate Dioctyl adipate Dioctyl ester hexanedioic acid Dioctyl ester of hexanedioic acid Octyl adipate Hexanedioic acid dioctyl ester AI3-17824 EINECS 204-652-9 HSDB 366 NSC 16201
CAS Registry Number 123-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey NEHDRDVHPTWWFG-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
SMILES C(=O)(CCCCC(OCCCCCCCC)=O)OCCCCCCCC
SPLASH splash10-05di-9500000000-c7ca59b8e11496191686
Source of Spectrum IC-1052-0-0
Wiley ID 1354517