| SpectraBase Spectrum ID |
DafR3zcnE1q |
| Name |
17-(4-methylphenyl)-1-nitro-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.105921618 u |
| Formula |
C24H16N2O5 |
| InChI |
InChI=1S/C24H16N2O5/c27-14-11-9-13(10-12-14)25-22(28)20-19-15-5-1-3-7-17(15)24(26(30)31,21(20)23(25)29)18-8-4-2-6-16(18)19/h1-12,19-21,27H/t19-,20-,21-,24-/m0/s1 |
| InChIKey |
PBPQYRUFENEUCY-CIEVZJJWSA-N |
| Molecular Weight |
412.401 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17440 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11270578; Lab Info: ART; Lab Number: LR-1415 |
![17-(4-methylphenyl)-1-nitro-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione](/api/spectrum/DafR3zcnE1q/structure.png?h=300&w=458 "17-(4-methylphenyl)-1-nitro-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione")
