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6-Benzofuranpropanoic acid, 7-hydroxy-4-methoxy-, methyl ester
SpectraBase Compound ID LBjGede9orH
InChI InChI=1S/C13H14O5/c1-16-10-7-8(3-4-11(14)17-2)12(15)13-9(10)5-6-18-13/h5-7,15H,3-4H2,1-2H3
InChIKey DVMSVXRSWPIJJN-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFrVohXDku5
Name 6-Benzofuranpropanoic acid, 7-hydroxy-4-methoxy-, methyl ester
CAS Registry Number 116663-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-16-10-7-8(3-4-11(14)17-2)12(15)13-9(10)5-6-18-13/h5-7,15H,3-4H2,1-2H3
InChIKey DVMSVXRSWPIJJN-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES Oc1c2c(c(OC)cc1CCC(=O)OC)cco2
SPLASH splash10-00or-0890000000-21c19d9611ee45ada83c
Source of Spectrum C-110-7431-36
Synonyms Methyl 3-(7-hydroxy-4-methoxy-1-benzofuran-6-yl)propanoate Methyl 7-hydroxy-4-methoxy-6-benzo[b]furanpropionate
Wiley ID 1253085