| SpectraBase Spectrum ID |
8RsfxqMv2tl |
| Name |
benzoic acid, 4-bromo-, 3,6-dihydro-3,3,5-trimethyl-6-oxo-2-phenyl-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 |
414.046672088 u |
| Formula |
C21H19BrO4 |
| InChI |
InChI=1S/C21H19BrO4/c1-13-17(25-20(24)15-9-11-16(22)12-10-15)21(2,3)18(26-19(13)23)14-7-5-4-6-8-14/h4-12,18H,1-3H3 |
| InChIKey |
PBQPLSPJDGTYCC-UHFFFAOYSA-N |
| Molecular Weight |
415.283 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11320 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10261283; Lab Info: GEI; Lab Number: GEI-SHEP112 |
| Temperature |
23.85 °C |
