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Benzoic acid 2-(4-chloro-phenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl ester
SpectraBase Compound ID 3TFzZrlkNKs
InChI InChI=1S/C21H19ClO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3
InChIKey ZMAXBBYQEMBHRA-UHFFFAOYSA-N
Mol Weight 370.83 g/mol
Molecular Formula C21H19ClO4
Exact Mass 370.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3178vdm5B7j
Name Benzoic acid 2-(4-chloro-phenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClO4
InChI InChI=1S/C21H19ClO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3
InChIKey ZMAXBBYQEMBHRA-UHFFFAOYSA-N
Molecular Weight 370.832 g/mol
SMILES C1(=C(C(=O)OC(C1(C)C)c1ccc(cc1)Cl)C)OC(=O)c1ccccc1
SPLASH splash10-0a4i-3900000000-8b013b103eae71e88048
Synonyms 2-(4-Chlorophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate benzoic acid [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] ester [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] benzoate [2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxidanylidene-2H-pyran-4-yl] benzoate
Wiley ID 1460889