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2H-1-Benzopyran-2-one, 8-[(3,3-dimethyloxiranyl)methyl]-5,7-dimethoxy-, (+)-
SpectraBase Compound ID BhNbXEXOdrW
InChI InChI=1S/C16H18O5/c1-16(2)13(21-16)7-10-12(19-4)8-11(18-3)9-5-6-14(17)20-15(9)10/h5-6,8,13H,7H2,1-4H3
InChIKey UOEQXGRDVIMHFZ-UHFFFAOYSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84htem7sFXB
Name 2H-1-Benzopyran-2-one, 8-[(3,3-dimethyloxiranyl)methyl]-5,7-dimethoxy-, (+)-
Alternate Name(s) Coumarin, 8-(2,3-epoxy-3-methylbutyl)-5,7-dimethoxy- 8-[(3,3-dimethyl-2-oxiranyl)methyl]-5,7-dimethoxy-2H-chromen-2-one Sibiricin
CAS Registry Number 18196-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-16(2)13(21-16)7-10-12(19-4)8-11(18-3)9-5-6-14(17)20-15(9)10/h5-6,8,13H,7H2,1-4H3
InChIKey UOEQXGRDVIMHFZ-UHFFFAOYSA-N
Molecular Weight 290.315 g/mol
SMILES c12c(CC3OC3(C)C)c(OC)cc(c1C=CC(O2)=O)OC
SPLASH splash10-014i-0290000000-ea3639219cb05bb142f9
Source of Spectrum E1-37-121-1
Wiley ID 1517505