Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H16O2/c1-8-5-6-10(12(2,3)4)11(14)9(8)7-13/h5-7,14H,1-4H3
SMILES O=Cc1c(C)ccc(c1O)C(C)(C)C
InChI Key YAGXJTGFNACZEO-UHFFFAOYSA-N
Molecular Formula C12H16O2
Exact Mass 192.254 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YAGXJTGFNACZEO-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/YAGXJTGFNACZEO-UHFFFAOYSA-N/CHMO0001148
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:45:32.973173
MetadataModified 2024-09-07T22:19:24.000292
MetadataPublished 2022-06-06
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
57421452 PubChem
DTXSID10726305 EPA CompTox Dashboard
ZINC000083815131 ZINC
SCHEMBL311508 SureChEMBL
The data in this table is sourced from UniChem at EBI.