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/C16H18O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
SMILES CC(C(c1ccc(cc1)c1ccccc1)O)C
InChI Key VJPZDHHSRNEGKG-UHFFFAOYSA-N
Molecular Formula C16H18O
Exact Mass 226.314 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJPZDHHSRNEGKG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VJPZDHHSRNEGKG-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:44:22.236879
MetadataModified 2024-09-07T18:43:55.431977
MetadataPublished 2020-08-26
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.129.957J Nikkaji
SCHEMBL17878528 SureChEMBL
12190886 PubChem
The data in this table is sourced from UniChem at EBI.