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Benzoic acid, 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl ester
SpectraBase Compound ID CHDjIjEE9ZX
InChI InChI=1S/C21H20O4/c1-14-17(24-20(23)16-12-8-5-9-13-16)21(2,3)18(25-19(14)22)15-10-6-4-7-11-15/h4-13,18H,1-3H3
InChIKey UXXMZHQXFIACTH-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SSh2rmshtp
Name Benzoic acid, 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl ester
Alternate Name(s) (3,3,5-trimethyl-6-oxidanylidene-2-phenyl-2H-pyran-4-yl) benzoate (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) benzoate 3,3,5-Trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl benzoate benzoic acid (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) ester benzoic acid (6-keto-3,3,5-trimethyl-2-phenyl-2H-pyran-4-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-14-17(24-20(23)16-12-8-5-9-13-16)21(2,3)18(25-19(14)22)15-10-6-4-7-11-15/h4-13,18H,1-3H3
InChIKey UXXMZHQXFIACTH-UHFFFAOYSA-N
Molecular Weight 336.387 g/mol
SMILES C1(=C(C(=O)OC(C1(C)C)c1ccccc1)C)OC(=O)c1ccccc1
SPLASH splash10-0a4i-8900000000-dd7aa85c835e2091f180
Wiley ID 1457486