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/C15H18O3/c1-7(2)11-6-12-10(5)13(16)8(3)9(4)14(12)18-15(11)17/h6-7,16H,1-5H3
SMILES CC(c1cc2c(C)c(O)c(c(c2oc1=O)C)C)C
InChI Key JPORYHFPBKNNIU-UHFFFAOYSA-N
Molecular Formula C15H18O3
Exact Mass 246.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JPORYHFPBKNNIU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JPORYHFPBKNNIU-UHFFFAOYSA-N/CHMO0000593
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:14:43.205356
MetadataModified 2024-09-07T19:23:17.576538
MetadataPublished 2021-03-01
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
155804310 PubChem
The data in this table is sourced from UniChem at EBI.