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Benzoic acid, 2-butoxy-, methyl ester
SpectraBase Compound ID IAd0qxmZhse
InChI InChI=1S/C12H16O3/c1-3-4-9-15-11-8-6-5-7-10(11)12(13)14-2/h5-8H,3-4,9H2,1-2H3
InChIKey BUKSCRKGJVCWGE-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bqe7Vhq1Gzz
Name Benzoic acid, 2-butoxy-, methyl ester
CAS Registry Number 5446-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-4-9-15-11-8-6-5-7-10(11)12(13)14-2/h5-8H,3-4,9H2,1-2H3
InChIKey BUKSCRKGJVCWGE-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES COC(=O)c1c(OCCCC)cccc1
SPLASH splash10-001i-3900000000-f2276fb952f32b49a13c
Source of Spectrum W5-16589-0-0
Synonyms Methyl 2-butoxybenzoate 2-Butoxybenzoic acid methyl ester Benzoic acid, o-butoxy-, methyl ester
Wiley ID 1206754