Molecule
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
infrared absorption spectroscopy (IR)
mass spectrometry (MS)
(12E,23E)-1,8-diazoniahexacyclo[23.2.2.23,6.28,11.114,18.022,30]tetratriaconta-1(27),3(34),4,6(33),8(32),9,11(31),12,14,16,18(30),19,21,23,25,28-hexadecaene;dichloride
Chemical Information
| InChI | InChI=1S/C32H26N2.2ClH/c1-3-29-4-2-6-31-14-12-26-17-21-34(22-18-26)24-28-9-7-27(8-10-28)23-33-19-15-25(16-20-33)11-13-30(5-1)32(29)31;;/h1-22H,23-24H2;2*1H/q+2;;/p-2/b13-11+,14-12+;; |
|---|---|
| SMILES | c1cc2/C=C/c3cc[n+](cc3)Cc3ccc(C[n+]4ccc(/C=C/c5c2c(c1)ccc5)cc4)cc3.[Cl-].[Cl-] |
| InChI Key | ZJSPYAOOLGYBTI-VCHVFRDLSA-L |
| Exact Mass | 509.468 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9314 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |