Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C29H27NO/c1-31-29-10-6-5-9-26(29)27-19-24-18-16-22-13-11-21(12-14-22)15-17-23(27)20-28(24)30-25-7-3-2-4-8-25/h2-14,19-20,30H,15-18H2,1H3
SMILES COc1ccccc1c1cc2CCc3ccc(CCc1cc2Nc1ccccc1)cc3
InChI Key XTJRNBYCUHZGMU-UHFFFAOYSA-N
Molecular Formula C29H27NO
Exact Mass 405.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XTJRNBYCUHZGMU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XTJRNBYCUHZGMU-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-01-04
Related Molecule
  • 15-(2-methoxyphenyl)-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166451844 PubChem
    The data in this table is sourced from UniChem at EBI.