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4H-1-benzopyran-3-carboxylic acid-2-iso-propyl-methyl ester
SpectraBase Compound ID I57XWC3nWRB
InChI InChI=1S/C14H16O3/c1-9(2)13-11(14(15)16-3)8-10-6-4-5-7-12(10)17-13/h4-7,9H,8H2,1-3H3
InChIKey OWCIBSQREMKEEN-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K9CYhf097e
Name 4H-1-benzopyran-3-carboxylic acid-2-iso-propyl-methyl ester
Alternate Name(s) Methyl 2-isopropyl-4H-chromene-3-carboxylate
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-9(2)13-11(14(15)16-3)8-10-6-4-5-7-12(10)17-13/h4-7,9H,8H2,1-3H3
InChIKey OWCIBSQREMKEEN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200347g
Molecular Weight 232.279 g/mol
SMILES c1ccc2OC(=C(Cc2c1)C(OC)=O)C(C)C
SPLASH splash10-0ff0-0790000000-3602dcdb6ffe3e461f9c
Source of Spectrum A1-13-1972/SMS19-3i
Wiley ID 1753018