Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H22N2O2/c1-25-14-23-13-12-19(22-23)20-17-8-6-15-2-4-16(5-3-15)7-9-18(11-10-17)21(20)24/h2-5,10-13,24H,6-9,14H2,1H3
SMILES COCn1ccc(n1)c1c2CCc3ccc(CCc(c1O)cc2)cc3
InChI Key OINFAAISEIUQNX-UHFFFAOYSA-N
Molecular Formula C21H22N2O2
Exact Mass 334.412 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OINFAAISEIUQNX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/OINFAAISEIUQNX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Mark Busch
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 6-[1-(methoxymethyl)pyrazol-3-yl]tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    UFUTIA CCDC
    136259465 PubChem
    The data in this table is sourced from UniChem at EBI.