| SpectraBase Spectrum ID |
ES4e7IW8GcW |
| Name |
butanoic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-1-benzopyran-4-yl)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 |
380.173607257 u |
| Formula |
C22H24N2O4 |
| InChI |
InChI=1S/C22H24N2O4/c1-4-5-18(26)27-14-8-6-13(7-9-14)19-15(12-23)21(24)28-17-11-22(2,3)10-16(25)20(17)19/h6-9,19H,4-5,10-11,24H2,1-3H3 |
| InChIKey |
NZQKKSYWNYAKEN-UHFFFAOYSA-N |
| Molecular Weight |
380.444 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9219 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253137; Lab Info: DVD; Lab Number: DVD-0000082 |
