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4-Methyl-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
SpectraBase Compound ID JyOCBUANVle
InChI InChI=1S/C16H18O4/c1-10-7-15(18)20-13-8-11(5-6-12(10)13)19-9-14(17)16(2,3)4/h5-8H,9H2,1-4H3
InChIKey LTIOVMWCBSGNPA-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AF99ByVEGHP
Name 4-Methyl-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-10-7-15(18)20-13-8-11(5-6-12(10)13)19-9-14(17)16(2,3)4/h5-8H,9H2,1-4H3
InChIKey LTIOVMWCBSGNPA-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-4184(200205)335_5_187
Molecular Weight 274.316 g/mol
SMILES C1(C=C(c2c(O1)cc(cc2)OCC(C(C)(C)C)=O)C)=O
SPLASH splash10-0a4i-9530000000-75efb9f65bf7d5132891
Source of Spectrum APP-335-189-2e
Synonyms 7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2H-chromen-2-one 7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-1-benzopyran-2-one 7-(3,3-dimethyl-2-oxobutoxy)-4-methylchromen-2-one 7-(3,3-dimethyl-2-oxo-butoxy)-4-methyl-chromen-2-one 7-(3,3-dimethyl-2-oxidanylidene-butoxy)-4-methyl-chromen-2-one
Wiley ID 1770601