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5-Isopropoxy-6-methoxy-3-methylisocoumarin
SpectraBase Compound ID ATBZOjlCeyr
InChI InChI=1S/C14H16O4/c1-8(2)17-13-11-7-9(3)18-14(15)10(11)5-6-12(13)16-4/h5-8H,1-4H3
InChIKey XUKVLUWYELERTA-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fn1JbtSEuIx
Name 5-Isopropoxy-6-methoxy-3-methylisocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-8(2)17-13-11-7-9(3)18-14(15)10(11)5-6-12(13)16-4/h5-8H,1-4H3
InChIKey XUKVLUWYELERTA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302256y
Molecular Weight 248.278 g/mol
SMILES c1(c(OC(C)C)c2C=C(OC(=O)c2cc1)C)OC
SPLASH splash10-0a4r-0790000000-d0907f757fc142e90365
Source of Spectrum A1-14-4930/SMSI4-3c
Synonyms 5-Isopropoxy-6-methoxy-3-methyl-1H-isochromen-1-one
Wiley ID 1750630