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/C11H14O2/c1-7(2)9-5-4-8(3)11(13)10(9)6-12/h4-7,13H,1-3H3
SMILES O=Cc1c(ccc(c1O)C)C(C)C
InChI Key LLVQQQQUKUEOOW-UHFFFAOYSA-N
Molecular Formula C11H14O2
Exact Mass 178.228 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLVQQQQUKUEOOW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LLVQQQQUKUEOOW-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:19:59.834697
MetadataModified 2024-09-07T20:47:20.026744
MetadataPublished 2021-12-21
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables