Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
SMILES O=Cc1ccc(c(c1)C)C
InChI Key POQJHLBMLVTHAU-UHFFFAOYSA-N
Molecular Formula C9H10O
Exact Mass 134.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/POQJHLBMLVTHAU-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/POQJHLBMLVTHAU-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:55:48.668790
MetadataModified 2024-09-08T03:55:48.668802
MetadataPublished 2024-06-24
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
14747705 PubChem: Thomson Pharma
5973-71-7 ACToR
16G1J12ARB FDA SRS
514784 eMolecules
22278 PubChem
J42.310F Nikkaji
20208748 NMRShiftDB
SCHEMBL98097 SureChEMBL
CHEMBL3187739 ChEMBL
MCULE-4139700449 Mcule
167406 ChEBI
DTXSID2041626 EPA CompTox Dashboard
ZINC000002146875 ZINC
43247 Brenda
The data in this table is sourced from UniChem at EBI.