Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

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
SMILES CC(c1cc2CCc3ccc(CCc1cc2)cc3)O
InChI Key IOOIGEUVTBOKRL-UHFFFAOYSA-N
Molecular Formula C18H20O
Exact Mass 252.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IOOIGEUVTBOKRL-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/IOOIGEUVTBOKRL-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Patrick Kern
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:50:07.843619
MetadataModified 2024-09-23T09:25:12.150348
MetadataPublished 2024-06-05
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
title : Zip

Data-Source Molecule ID Data-Source
1071301 eMolecules
MCULE-7337570922 Mcule
DTXSID90284019 EPA CompTox Dashboard
234648 PubChem
The data in this table is sourced from UniChem at EBI.