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/C16H16O/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,17H,5-7,9H2
SMILES Oc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key OGJZTZSDXOCMNS-UHFFFAOYSA-N
Molecular Formula C16H16O
Exact Mass 224.298 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OGJZTZSDXOCMNS-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/OGJZTZSDXOCMNS-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Carolin Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:38:35.217968
MetadataModified 2024-09-07T12:54:11.545633
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
13170814 eMolecules
SCHEMBL9732911 SureChEMBL
4350025 PubChem
15663747 PubChem: Thomson Pharma
J861.830E Nikkaji
J2.602.232K Nikkaji
EFOQUM CCDC
MCULE-7833591369 Mcule
ZINC000003137313 ZINC
The data in this table is sourced from UniChem at EBI.