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Dibutyl sebacate
SpectraBase Compound ID 17TTSSUbJlS
InChI InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
InChIKey PYGXAGIECVVIOZ-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IHmS5JtOme
Name Dibutyl sebacate
CAS Registry Number 109-43-3
Classification Chemical
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 314.245709571 u
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
InChIKey PYGXAGIECVVIOZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 314.466 g/mol
Nominal Mass 314 u
Quality 994
Retention Index 2197
SMILES C(CCCCCCCCC(OCCCC)=O)(OCCCC)=O
SPLASH splash10-052o-8930000000-a2814999043b9092b6f5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Decanedioic acid,dibutyl ester 1,10-Dibutyldecanedioate
Technique GC/MS
Wiley ID DD2024_030825