| SpectraBase Spectrum ID |
BkGrOGmkgD0 |
| Name |
2-chloro-5-{1,8-dimethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2,4,6,9,11,13-hexaen-17-yl}benzoic acid |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.108085824 u |
| Formula |
C27H20ClNO4 |
| InChI |
InChI=1S/C27H20ClNO4/c1-26-16-7-3-5-9-18(16)27(2,19-10-6-4-8-17(19)26)22-21(26)23(30)29(24(22)31)14-11-12-20(28)15(13-14)25(32)33/h3-13,21-22H,1-2H3,(H,32,33)/t21-,22-,26-,27+/m1/s1 |
| InChIKey |
FMEKXYLDXSRLJO-VLHNATBGSA-N |
| Molecular Weight |
457.913 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_958 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12269002 |
![2-chloro-5-{1,8-dimethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2,4,6,9,11,13-hexaen-17-yl}benzoic acid](/api/spectrum/BkGrOGmkgD0/structure.png?h=300&w=458 "2-chloro-5-{1,8-dimethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2,4,6,9,11,13-hexaen-17-yl}benzoic acid")
