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/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
SMILES COC(c1ccccc1)OC
InChI Key HEVMDQBCAHEHDY-UHFFFAOYSA-N
Exact Mass 152.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEVMDQBCAHEHDY-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/HEVMDQBCAHEHDY-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:19:56.360733
MetadataModified 2024-09-23T09:25:40.876908
MetadataPublished 2024-08-06
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
temperature : 298.0 K

PULPROG : hmbcgplpndqf

number of scans : 2 scans

title : GH_1125-88-8_CDCl3

date : 20240715

starting time : 23.31 h

instrument : spect

label : GEH-54

id : 118994

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
10008905 NMRShiftDB
ZINC000000389865 ZINC
DTXSID5061538 EPA CompTox Dashboard
J57.881I Nikkaji
CB7187551 ChemicalBook
HMDB0041326 Human Metabolome Database
62375 PubChem
479260 eMolecules
15437407 PubChem: Thomson Pharma
SCHEMBL26689 SureChEMBL
179257 ChEBI
W6T83K35CA FDA SRS
1125-88-8 ACToR
The data in this table is sourced from UniChem at EBI.