| SpectraBase Spectrum ID |
A3bEeFTXBL |
| Name |
benzoic acid, 4-bromo-, 2-(4-chlorophenyl)-3,6-dihydro-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.007699756 u |
| Formula |
C21H18BrClO4 |
| InChI |
InChI=1S/C21H18BrClO4/c1-12-17(26-20(25)14-4-8-15(22)9-5-14)21(2,3)18(27-19(12)24)13-6-10-16(23)11-7-13/h4-11,18H,1-3H3 |
| InChIKey |
IKAZLGKWTWSIQA-UHFFFAOYSA-N |
| Molecular Weight |
449.728 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11321 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10261284; Lab Info: GEI; Lab Number: GEI-SHEP113 |
| Temperature |
23.85 °C |
