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/C17H22O2/c1-4-5-6-7-8-14-11-15-12(2)9-10-13(3)16(15)19-17(14)18/h9-11H,4-8H2,1-3H3
SMILES CCCCCCc1cc2c(C)ccc(c2oc1=O)C
InChI Key NZOBKJXHRITAJF-UHFFFAOYSA-N
Molecular Formula C17H22O2
Exact Mass 258.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NZOBKJXHRITAJF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NZOBKJXHRITAJF-UHFFFAOYSA-N/CHMO0000593
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:17:41.578835
MetadataModified 2024-09-07T19:27:10.906155
MetadataPublished 2021-03-01
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453896 PubChem
The data in this table is sourced from UniChem at EBI.