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3-(3'-Oxoprop-1'-yl)-5,7-dimethoxy-(3H)-isobenzofuran-1-one
SpectraBase Compound ID 9CBhMcnj1dZ
InChI InChI=1S/C13H14O5/c1-16-8-6-9-10(4-3-5-14)18-13(15)12(9)11(7-8)17-2/h5-7,10H,3-4H2,1-2H3
InChIKey NWAFNEBXHPVCDE-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 DnKhsndwKPQ
Name 3-(3'-Oxoprop-1'-yl)-5,7-dimethoxy-(3H)-isobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-16-8-6-9-10(4-3-5-14)18-13(15)12(9)11(7-8)17-2/h5-7,10H,3-4H2,1-2H3
InChIKey NWAFNEBXHPVCDE-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES c12C(OC(c2cc(cc1OC)OC)CCC=O)=O
SPLASH splash10-052f-0960000000-2511dd4340981eb95441
Source of Spectrum KC-61-10041-9
Synonyms 3-(4,6-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanal 3-(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)propanal 3-(4,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)propanal 3-(4,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)propanal
Wiley ID 1630838