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/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3
SMILES CC(c1ccc(cc1)c1ccccc1)O
InChI Key GOISDOCZKZYADO-UHFFFAOYSA-N
Molecular Formula C14H14O
Exact Mass 198.260 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GOISDOCZKZYADO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GOISDOCZKZYADO-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:44:48.260732
MetadataModified 2024-09-07T18:44:32.744598
MetadataPublished 2020-08-26
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
96176 PubChem
MCULE-4005595795 Mcule
480932 eMolecules
16033404 PubChem: Thomson Pharma
SCHEMBL430326 SureChEMBL
CB7210080 ChemicalBook
133035 Brenda
J216.204K Nikkaji
69634 Brenda
The data in this table is sourced from UniChem at EBI.