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Ethyl 3-chloro-2-hydroxy-6-pentyl-4-methoxybenzoate
SpectraBase Compound ID 8yO5Rzco5QV
InChI InChI=1S/C15H21ClO4/c1-4-6-7-8-10-9-11(19-3)13(16)14(17)12(10)15(18)20-5-2/h9,17H,4-8H2,1-3H3
InChIKey DVXSJXKULKISOR-UHFFFAOYSA-N
Mol Weight 300.78 g/mol
Molecular Formula C15H21ClO4
Exact Mass 300.112837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExIVyWRWkUS
Name Ethyl 3-chloro-2-hydroxy-6-pentyl-4-methoxybenzoate
Alternate Name(s) 3-chloro-2-hydroxy-4-methoxy-6-pentylbenzoic acid ethyl ester 6-amyl-3-chloro-2-hydroxy-4-methoxy-benzoic acid ethyl ester ethyl 3-chloro-2-hydroxy-4-methoxy-6-pentylbenzoate ethyl 3-chloro-2-hydroxy-4-methoxy-6-pentyl-benzoate ethyl 3-chloranyl-4-methoxy-2-oxidanyl-6-pentyl-benzoate
CAS Registry Number 120091-94-3
Comments Less than 3 mono-isotopic peaks
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Formula C15H21ClO4
InChI InChI=1S/C15H21ClO4/c1-4-6-7-8-10-9-11(19-3)13(16)14(17)12(10)15(18)20-5-2/h9,17H,4-8H2,1-3H3
InChIKey DVXSJXKULKISOR-UHFFFAOYSA-N
Molecular Weight 300.782 g/mol
SMILES Oc1c(c(cc(OC)c1Cl)CCCCC)C(=O)OCC
SPLASH splash10-0udi-0091000000-cff07d5eadda6e35a8bb
Source of Spectrum B-41-1793-14
Wiley ID 1302626