Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\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/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/APSMUYYLXZULMS-UHFFFAOYSA-N/CHMO0000604
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:23:59.320147
MetadataModified 2024-09-08T03:23:59.320153
MetadataPublished 2024-04-30
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
11372 PubChem
SYU33I753N FDA SRS
16057831 PubChem: Thomson Pharma
580-13-2 ACToR
SCHEMBL154221 SureChEMBL
MCULE-1692997537 Mcule
10016018 NMRShiftDB
J94.978G Nikkaji
BRNAPT CCDC
ZINC000001672947 ZINC
50159272 BindingDB
DTXSID3060378 EPA CompTox Dashboard
CB8512376 ChemicalBook
CB9781951 ChemicalBook
125368 Brenda
CHEMBL192643 ChEMBL
485578 eMolecules
The data in this table is sourced from UniChem at EBI.