Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H20O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13,19H,6-8,10H2,1H3/t13-/m1/s1
SMILES C[C@H](c1cc2CCc3ccc(CCc1cc2)cc3)O
InChI Key IOOIGEUVTBOKRL-CYBMUJFWSA-N
Molecular Formula C18H20O
Exact Mass 252.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IOOIGEUVTBOKRL-CYBMUJFWSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IOOIGEUVTBOKRL-CYBMUJFWSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • (1R)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000003122318 ZINC
    MCULE-6698387984 Mcule
    CACTOQ CCDC
    J1.689.707H Nikkaji
    15974965 PubChem
    The data in this table is sourced from UniChem at EBI.