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5-Ethoxy-6-methoxy-3-methylisocoumarin
SpectraBase Compound ID ExiOG2T8x4X
InChI InChI=1S/C13H14O4/c1-4-16-12-10-7-8(2)17-13(14)9(10)5-6-11(12)15-3/h5-7H,4H2,1-3H3
InChIKey SDMGIFQKCDSXKR-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uJThAKhimY
Name 5-Ethoxy-6-methoxy-3-methylisocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-4-16-12-10-7-8(2)17-13(14)9(10)5-6-11(12)15-3/h5-7H,4H2,1-3H3
InChIKey SDMGIFQKCDSXKR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302256y
Molecular Weight 234.251 g/mol
SMILES c1(c(c2C=C(OC(=O)c2cc1)C)OCC)OC
SPLASH splash10-0a59-0490000000-6669f9409281ee340862
Source of Spectrum A1-14-4930/SMSI4-3b
Synonyms 5-Ethoxy-6-methoxy-3-methyl-1H-isochromen-1-one 5-Ethoxy-6-methoxy-3-methyl-2-benzopyran-1-one 5-Ethoxy-6-methoxy-3-methylisochromen-1-one 5-Ethoxy-6-methoxy-3-methyl-isochromen-1-one
Wiley ID 1750629