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Benzoic acid, 2-chloro-, [2-methoxy-4-(3-oxobutyl)phenyl] ester
SpectraBase Compound ID 9ePHm1RDvBo
InChI InChI=1S/C18H17ClO4/c1-12(20)7-8-13-9-10-16(17(11-13)22-2)23-18(21)14-5-3-4-6-15(14)19/h3-6,9-11H,7-8H2,1-2H3
InChIKey XRTSDMORUBQDDS-UHFFFAOYSA-N
Mol Weight 332.78 g/mol
Molecular Formula C18H17ClO4
Exact Mass 332.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSwnTGAcbgg
Name Benzoic acid, 2-chloro-, [2-methoxy-4-(3-oxobutyl)phenyl] ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClO4
InChI InChI=1S/C18H17ClO4/c1-12(20)7-8-13-9-10-16(17(11-13)22-2)23-18(21)14-5-3-4-6-15(14)19/h3-6,9-11H,7-8H2,1-2H3
InChIKey XRTSDMORUBQDDS-UHFFFAOYSA-N
Molecular Weight 332.783 g/mol
SMILES C(c1c(Cl)cccc1)(Oc1c(cc(CCC(=O)C)cc1)OC)=O
SPLASH splash10-000i-1900000000-fd395c7a4afe7d5e052e
Source of Spectrum AD-0-2532-0
Synonyms 2-Chlorobenzoic acid [2-methoxy-4-(3-oxobutyl)phenyl] ester [2-methoxy-4-(3-oxobutyl)phenyl] 2-chlorobenzoate [2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 2-chloranylbenzoate
Wiley ID 1425275