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/C9H14O2/c1-8(2)5-9(3,4)7(11)6(8)10/h5H2,1-4H3
SMILES O=C1C(=O)C(CC1(C)C)(C)C
InChI Key PSTFMALKVLSKOP-UHFFFAOYSA-N
Molecular Formula C9H14O2
Exact Mass 154.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PSTFMALKVLSKOP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PSTFMALKVLSKOP-UHFFFAOYSA-N/CHMO0000593
Version
Author N. Maximilian Bojanowski
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:53:53.045497
MetadataModified 2024-09-07T23:44:14.526780
MetadataPublished 2022-11-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J100.148E Nikkaji
DTXSID90174663 EPA CompTox Dashboard
20633-06-1 ACToR
SCHEMBL2036437 SureChEMBL
140719 PubChem
30101753 NMRShiftDB
The data in this table is sourced from UniChem at EBI.