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Sebacic acid monomethyl ester
SpectraBase Compound ID JHoKUlJWcKW
InChI InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKey OSYQOBUUFRGFNG-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C11H20O4
Exact Mass 216.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOKJiaHVMNd
Name 9-(Methoxycarbonyl)nonanoic acid
Alternate Name(s) 10-Methoxy-10-oxodecanoic acid 10-keto-10-methoxy-capric acid Decanedioic acid, monomethyl ester 10-methoxy-10-oxidanylidene-decanoic acid Mono-methyl sebacate 10-methoxy-10-oxo-decanoic acid Sebacic acid monomethyl ester
CAS Registry Number 818-88-2
Comments Less than 3 mono-isotopic peaks
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Formula C11H20O4
InChI InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKey OSYQOBUUFRGFNG-UHFFFAOYSA-N
Molecular Weight 216.277 g/mol
SMILES OC(CCCCCCCCC(=O)OC)=O
SPLASH splash10-0f6t-0790000000-1642527b6b1518bd9810
Source of Spectrum SK-28-1412-2
Wiley ID 868309