| SpectraBase Spectrum ID |
COTkTY41BI2 |
| Name |
benzoic acid, 2-bromo-, 2-[(Z)-(2-[4-(1,1-dimethylethyl)phenyl]-5-oxo-4(5H)-oxazolylidene)methyl]phenyl 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 |
503.073221188 u |
| Formula |
C27H22BrNO4 |
| InChI |
InChI=1S/C27H22BrNO4/c1-27(2,3)19-14-12-17(13-15-19)24-29-22(26(31)33-24)16-18-8-4-7-11-23(18)32-25(30)20-9-5-6-10-21(20)28/h4-16H,1-3H3/b22-16- |
| InChIKey |
XEAGYZHNVDAYOB-JWGURIENSA-N |
| Molecular Weight |
504.380 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3565 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/7049419; Lab Info: LD; Lab Number: LD-biaz054 |
| Temperature |
29.85 °C |
![benzoic acid, 2-bromo-, 2-[(Z)-(2-[4-(1,1-dimethylethyl)phenyl]-5-oxo-4(5H)-oxazolylidene)methyl]phenyl ester](/api/spectrum/COTkTY41BI2/structure.png?h=300&w=458 "benzoic acid, 2-bromo-, 2-[(Z)-(2-[4-(1,1-dimethylethyl)phenyl]-5-oxo-4(5H)-oxazolylidene)methyl]phenyl ester")
