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/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
SMILES COc1ccc(cc1)I
InChI Key SYSZENVIJHPFNL-UHFFFAOYSA-N
Molecular Formula C7H7IO
Exact Mass 234.034 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYSZENVIJHPFNL-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/SYSZENVIJHPFNL-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:05:05.389663
MetadataModified 2024-09-08T04:05:05.389668
MetadataPublished 2024-07-08
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
523220 eMolecules
10025054 NMRShiftDB
CAJWIU CCDC
J93.739H Nikkaji
95428-88-9 ACToR
SCHEMBL24567 SureChEMBL
69676 PubChem
696-62-8 ACToR
14794692 PubChem: Thomson Pharma
MCULE-1365359457 Mcule
DTXSID7061015 EPA CompTox Dashboard
174192 ChEBI
ZINC000000391101 ZINC
HMDB0062252 Human Metabolome Database
CB6450614 ChemicalBook
The data in this table is sourced from UniChem at EBI.