| SpectraBase Spectrum ID |
8hIqAx0NwWU |
| Name |
4-chloro-3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2(7),3,5,9(14),10,12-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 |
429.076785695 u |
| Formula |
C25H16ClNO4 |
| InChI |
InChI=1S/C25H16ClNO4/c26-17-10-9-12(25(30)31)11-18(17)27-23(28)21-19-13-5-1-2-6-14(13)20(22(21)24(27)29)16-8-4-3-7-15(16)19/h1-11,19-22H,(H,30,31)/t19-,20+,21-,22+ |
| InChIKey |
ZETCSPNBXGJGCI-COPRSSIGSA-N |
| Molecular Weight |
429.859 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2811 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9213578; Lab Info: KWN; Lab Number: KWN-JW00137 |
| Temperature |
29.85 °C |
![4-chloro-3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoic acid](/api/spectrum/8hIqAx0NwWU/structure.png?h=300&w=458 "4-chloro-3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoic acid")
