Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
SMILES COc1ccccc1Br
InChI Key HTDQSWDEWGSAMN-UHFFFAOYSA-N
Molecular Formula C7H7BrO
Exact Mass 187.034 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HTDQSWDEWGSAMN-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/HTDQSWDEWGSAMN-UHFFFAOYSA-N/CHMO0000601
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:14:47.548442
MetadataModified 2024-09-08T04:14:47.548446
MetadataPublished 2024-07-17
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL57602 SureChEMBL
MCULE-1419926333 Mcule
11358 PubChem
ZINC000000164469 ZINC
DTXSID4060367 EPA CompTox Dashboard
J7.426H Nikkaji
ZIBWAM CCDC
137814 Brenda
10008804 NMRShiftDB
CB6758213 ChemicalBook
14818581 PubChem: Thomson Pharma
578-57-4 ACToR
482838 eMolecules
The data in this table is sourced from UniChem at EBI.