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5-Chlorovaleric acid, 3-tridecyl ester
SpectraBase Compound ID 5xSFFdsY6qH
InChI InChI=1S/C18H35ClO2/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 YGWIZQGUCQDCRD-UHFFFAOYSA-N
Mol Weight 318.9 g/mol
Molecular Formula C18H35ClO2
Exact Mass 318.232558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR1RHPeLLv5
Name 5-Chlorovaleric acid, 3-tridecyl ester
Alternate Name(s) 5-Chloropentanoic acid tridecan-3-yl ester Tridecan-3-yl 5-chloropentanoate 1-Ethylundecyl 5-chloropentanoate Tridecan-3-yl 5-chloranylpentanoate
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Formula C18H35ClO2
InChI InChI=1S/C18H35ClO2/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 YGWIZQGUCQDCRD-UHFFFAOYSA-N
Molecular Weight 318.929 g/mol
SMILES CCC(CCCCCCCCCC)OC(CCCCCl)=O
SPLASH splash10-014i-8900000000-8d27396744a6d63ad7f5
Source of Spectrum NP-11-1218-0
Wiley ID 1109400