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/C17H22O3/c1-6-7-8-13-9-14-12(4)15(19-5)10(2)11(3)16(14)20-17(13)18/h9H,6-8H2,1-5H3
SMILES CCCCc1cc2c(C)c(OC)c(c(c2oc1=O)C)C
InChI Key OYKLQGVMJMPACF-UHFFFAOYSA-N
Molecular Formula C17H22O3
Exact Mass 274.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OYKLQGVMJMPACF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OYKLQGVMJMPACF-UHFFFAOYSA-N/CHMO0000593
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:17:01.722603
MetadataModified 2024-09-07T19:26:20.721057
MetadataPublished 2021-03-01
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453530 PubChem
The data in this table is sourced from UniChem at EBI.