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/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
SMILES C#Cc1ccc(cc1)C(=O)O
InChI Key SJXHLZCPDZPBPW-UHFFFAOYSA-N
Molecular Formula C9H6O2
Exact Mass 146.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJXHLZCPDZPBPW-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/SJXHLZCPDZPBPW-UHFFFAOYSA-N/CHMO0001148
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:51:51.585404
MetadataModified 2024-09-07T21:28:09.665619
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
31600616 eMolecules
16178335 PubChem: Thomson Pharma
SCHEMBL40299 SureChEMBL
589706 PubChem
DTXSID90343433 EPA CompTox Dashboard
ZINC000000379054 ZINC
CB3430662 ChemicalBook
MolPort-001-975-237 MolPort
J514.157E Nikkaji
The data in this table is sourced from UniChem at EBI.