Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
SMILES Brc1ccc2c(c1)cccc2
InChI Key APSMUYYLXZULMS-UHFFFAOYSA-N
Molecular Formula C10H7Br
Exact Mass 207.067 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/APSMUYYLXZULMS-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/APSMUYYLXZULMS-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:23:57.470885
MetadataModified 2024-09-08T03:23:57.470891
MetadataPublished 2024-04-30
Related Molecule
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
11372 PubChem
SYU33I753N FDA SRS
16057831 PubChem: Thomson Pharma
580-13-2 ACToR
SCHEMBL154221 SureChEMBL
485578 eMolecules
CB8512376 ChemicalBook
CB9781951 ChemicalBook
125368 Brenda
10016018 NMRShiftDB
MCULE-1692997537 Mcule
CHEMBL192643 ChEMBL
J94.978G Nikkaji
BRNAPT CCDC
ZINC000001672947 ZINC
DTXSID3060378 EPA CompTox Dashboard
50159272 BindingDB
The data in this table is sourced from UniChem at EBI.