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4-Methylpentyl 4-chlorobenzoate

View entire compound with spectra: 1 MS (GC)

4-Methylpentyl 4-chlorobenzoate
SpectraBase Compound ID 3O46aSxCOp5
InChI InChI=1S/C13H17ClO2/c1-10(2)4-3-9-16-13(15)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKey HLGZZMPOFZSYPC-UHFFFAOYSA-N
Mol Weight 240.73 g/mol
Molecular Formula C13H17ClO2
Exact Mass 240.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOmV6cgyoQc
Name 4-Methylpentyl 4-chlorobenzoate
Alternate Name(s) 4-Chlorobenzoic acid, 4-methylpentyl ester 4-Chlorobenzoic acid 4-methylpentyl ester isohexyl 4-chlorobenzoate 4-Methylpentyl 4-chloranylbenzoate
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Formula C13H17ClO2
InChI InChI=1S/C13H17ClO2/c1-10(2)4-3-9-16-13(15)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKey HLGZZMPOFZSYPC-UHFFFAOYSA-N
Molecular Weight 240.730 g/mol
SMILES c1c(ccc(c1)C(OCCCC(C)C)=O)Cl
SPLASH splash10-06s9-9800000000-7b14a95f4b6f2c2f688e
Source of Spectrum NP-6-4977-0
Wiley ID 1105770