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Methyl 5-[(E)-4-Chlorobut-2-enyl]-4,6-dimethylsalicylate
SpectraBase Compound ID GgTTtv1n5dU
InChI InChI=1S/C14H17ClO3/c1-9-8-12(16)13(14(17)18-3)10(2)11(9)6-4-5-7-15/h4-5,8,16H,6-7H2,1-3H3/b5-4+
InChIKey AFILFLYVOXXVRI-SNAWJCMRSA-N
Mol Weight 268.74 g/mol
Molecular Formula C14H17ClO3
Exact Mass 268.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGkWe1oqSWI
Name Methyl 5-[(E)-4-Chlorobut-2-enyl]-4,6-dimethylsalicylate
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Formula C14H17ClO3
InChI InChI=1S/C14H17ClO3/c1-9-8-12(16)13(14(17)18-3)10(2)11(9)6-4-5-7-15/h4-5,8,16H,6-7H2,1-3H3/b5-4+
InChIKey AFILFLYVOXXVRI-SNAWJCMRSA-N
Molecular Weight 268.740 g/mol
SMILES Oc1c(c(c(C\C=C\CCl)c(c1)C)C)C(=O)OC
SPLASH splash10-000i-0090000000-7eca4f11476b4cd6ffc9
Source of Spectrum U1-2010-3747-3a
Synonyms 3-[(E)-4-chlorobut-2-enyl]-6-hydroxy-2,4-dimethylbenzoic acid methyl ester Methyl 3-[(E)-4-chlorobut-2-enyl]-6-hydroxy-2,4-dimethylbenzoate Methyl 3-[(E)-4-chlorobut-2-enyl]-6-hydroxy-2,4-dimethyl-benzoate Methyl 3-[(E)-4-chloranylbut-2-enyl]-2,4-dimethyl-6-oxidanyl-benzoate
Wiley ID 1663982