![tricyclo[3.3.1.1~3,7~]decane-1-acetic acid, 3-(4-[(1,3-benzodioxol-5-ylmethyl)amino]-5-chloro-6-oxo-1(6H)-pyridazinyl)-](/api/spectrum/KRvzcTmBT5E/structure.png?h=300&w=458 "tricyclo[3.3.1.1~3,7~]decane-1-acetic acid, 3-(4-[(1,3-benzodioxol-5-ylmethyl)amino]-5-chloro-6-oxo-1(6H)-pyridazinyl)-")
| SpectraBase Compound ID | BxcKXj54bVm |
|---|---|
| InChI | InChI=1S/C24H26ClN3O5/c25-21-17(26-10-14-1-2-18-19(4-14)33-13-32-18)11-27-28(22(21)31)24-7-15-3-16(8-24)6-23(5-15,12-24)9-20(29)30/h1-2,4,11,15-16,26H,3,5-10,12-13H2,(H,29,30)/t15-,16+,23-,24- |
| InChIKey | KTWNBKQPDZIOEL-UYOJPKATSA-N |
| Mol Weight | 471.94 g/mol |
| Molecular Formula | C24H26ClN3O5 |
| Exact Mass | 471.156099 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KRvzcTmBT5E |
|---|---|
| Name | tricyclo[3.3.1.1~3,7~]decane-1-acetic acid, 3-(4-[(1,3-benzodioxol-5-ylmethyl)amino]-5-chloro-6-oxo-1(6H)-pyridazinyl)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 471.156098644 u |
| Formula | C24H26ClN3O5 |
| InChI | InChI=1S/C24H26ClN3O5/c25-21-17(26-10-14-1-2-18-19(4-14)33-13-32-18)11-27-28(22(21)31)24-7-15-3-16(8-24)6-23(5-15,12-24)9-20(29)30/h1-2,4,11,15-16,26H,3,5-10,12-13H2,(H,29,30)/t15-,16+,23-,24- |
| InChIKey | KTWNBKQPDZIOEL-UYOJPKATSA-N |
| Molecular Weight | 471.941 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_5456 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13288707 |