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5-Bromovaleric acid, 3-pentadecyl ester
SpectraBase Compound ID DgznuWsGWHX
InChI InChI=1S/C20H39BrO2/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)23-20(22)17-14-15-18-21/h19H,3-18H2,1-2H3
InChIKey DGMJDUOZMNKTFC-UHFFFAOYSA-N
Mol Weight 391.4 g/mol
Molecular Formula C20H39BrO2
Exact Mass 390.213343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rKr5FWK0W
Name 5-Bromovaleric acid, 3-pentadecyl ester
Alternate Name(s) 5-Bromopentanoic acid pentadecan-3-yl ester Pentadecan-3-yl 5-bromopentanoate 1-Ethyltridecyl 5-bromopentanoate Pentadecan-3-yl 5-bromanylpentanoate
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Formula C20H39BrO2
InChI InChI=1S/C20H39BrO2/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)23-20(22)17-14-15-18-21/h19H,3-18H2,1-2H3
InChIKey DGMJDUOZMNKTFC-UHFFFAOYSA-N
Molecular Weight 391.434 g/mol
SMILES CCCCCCCCCCCCC(OC(CCCCBr)=O)CC
SPLASH splash10-0900-9800000000-9ac87acab4f05a6e14aa
Source of Spectrum NP-14-2006-0
Wiley ID 1111594