For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Bromo-4-hydroxy-4-(p-toluoyl)-6-(p-tolyl)-2H-pyran-2-one
SpectraBase Compound ID AnZbUaLnzPi
InChI InChI=1S/C20H15BrO4/c1-24-19(22)17-15-11-5-3-4-6-12(11)16(18(17)20(23)25-2)14-9-10(21)7-8-13(14)15/h3-9,15-16H,1-2H3/t15-,16+/m1/s1
InChIKey ZFPRMAQURPIZIJ-CVEARBPZSA-N
Mol Weight 399.24 g/mol
Molecular Formula C20H15BrO4
Exact Mass 398.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2jagGKLp8bH
Name 3-Bromo-4-hydroxy-4-(p-toluoyl)-6-(p-tolyl)-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15BrO4
InChI InChI=1S/C20H15BrO4/c1-24-19(22)17-15-11-5-3-4-6-12(11)16(18(17)20(23)25-2)14-9-10(21)7-8-13(14)15/h3-9,15-16H,1-2H3/t15-,16+/m1/s1
InChIKey ZFPRMAQURPIZIJ-CVEARBPZSA-N
Molecular Weight 399.240 g/mol
SMILES [C@]12(C(=C([C@](c3ccccc23)(c2ccc(cc12)Br)[H])C(=O)OC)C(=O)OC)[H]
SPLASH splash10-0f76-1369100000-a151ece4154c13e29661
Synonyms Dimethyl 4-bromotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylate
Wiley ID 1473783