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2-Benzofuran-2-ylhexanoic acid methyl ester
SpectraBase Compound ID IIWTQvyIM2F
InChI InChI=1S/C15H18O3/c1-3-4-8-12(15(16)17-2)14-10-11-7-5-6-9-13(11)18-14/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKey LTZUNSWXMYIQAE-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQqpkz7AzwG
Name 2-Benzofuran-2-ylhexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-4-8-12(15(16)17-2)14-10-11-7-5-6-9-13(11)18-14/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKey LTZUNSWXMYIQAE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200606037
Molecular Weight 246.306 g/mol
SMILES c1cc2cc(C(CCCC)C(OC)=O)oc2cc1
SPLASH splash10-001i-0910000000-5be2febcf2b77787c5c3
Source of Spectrum ASC-348-1101/SM13-2a
Synonyms Methyl 2-(benzofuran-2-yl)hexanoate 2-(2-benzofuranyl)hexanoic acid methyl ester Methyl 2-(1-benzofuran-2-yl)hexanoate
Wiley ID 1765271