Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
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
Molecular Formula C32H26Cl2N2
Exact Mass 509.468 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJSPYAOOLGYBTI-VCHVFRDLSA-L/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZJSPYAOOLGYBTI-VCHVFRDLSA-L/CHMO0000593
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-27
Related Molecule
  • (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
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168431800 PubChem
    The data in this table is sourced from UniChem at EBI.