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4H-1-benzopyran-3-carboxylic acid-2-methyl-benzyl ester
SpectraBase Compound ID I1UagITfJ6f
InChI InChI=1S/C18H16O3/c1-13-16(11-15-9-5-6-10-17(15)21-13)18(19)20-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey JVISVMZTUXBDOG-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpzYGBA7QC4
Name 4H-1-benzopyran-3-carboxylic acid-2-methyl-benzyl ester
Alternate Name(s) Benzyl 2-methyl-4H-chromene-3-carboxylate
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Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-13-16(11-15-9-5-6-10-17(15)21-13)18(19)20-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey JVISVMZTUXBDOG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200347g
Molecular Weight 280.323 g/mol
SMILES c1ccc2c(c1)CC(C(OCc1ccccc1)=O)=C(C)O2
SPLASH splash10-009f-3940000000-a1de0cac931ae3a0b313
Source of Spectrum A1-13-1972/SMS8-3c
Wiley ID 1753014