Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
SMILES O=Cc1cccc(c1)Br
InChI Key SUISZCALMBHJQX-UHFFFAOYSA-N
Molecular Formula C7H5BrO
Exact Mass 185.018 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:57:16.696674
MetadataModified 2024-09-08T03:57:16.696679
MetadataPublished 2024-07-01
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1568619 ChEMBL
484507 eMolecules
J30.726B Nikkaji
MCULE-2091851410 Mcule
76583 PubChem
10018747 NMRShiftDB
SCHEMBL4290 SureChEMBL
15340052 PubChem: Thomson Pharma
3132-99-8 ACToR
124427 Brenda
16606 Brenda
CB9315482 ChemicalBook
32279 Brenda
55794 Brenda
W0ARD2ZJ82 FDA SRS
ZINC000002504374 ZINC
DTXSID4027521 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.