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5-Bromovaleric acid, 3-tridecyl ester
SpectraBase Compound ID HsDOCDgLUnd
InChI InChI=1S/C18H35BrO2/c1-3-5-6-7-8-9-10-11-14-17(4-2)21-18(20)15-12-13-16-19/h17H,3-16H2,1-2H3
InChIKey DBWYEIHZSBBMFC-UHFFFAOYSA-N
Mol Weight 363.4 g/mol
Molecular Formula C18H35BrO2
Exact Mass 362.182043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iybh6oRqaQj
Name 5-Bromovaleric acid, 3-tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H35BrO2
InChI InChI=1S/C18H35BrO2/c1-3-5-6-7-8-9-10-11-14-17(4-2)21-18(20)15-12-13-16-19/h17H,3-16H2,1-2H3
InChIKey DBWYEIHZSBBMFC-UHFFFAOYSA-N
Molecular Weight 363.380 g/mol
SMILES CCCCCCCCCCC(OC(CCCCBr)=O)CC
SPLASH splash10-090r-8900000000-c19a8c09fc935d6a2bcc
Source of Spectrum NP-13-2126-0
Synonyms 5-Bromopentanoic acid tridecan-3-yl ester Tridecan-3-yl 5-bromopentanoate 1-Ethylundecyl 5-bromopentanoate Tridecan-3-yl 5-bromanylpentanoate
Wiley ID 1110898