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
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1568619 ChEMBL
32279 Brenda
J30.726B Nikkaji
DTXSID4027521 EPA CompTox Dashboard
W0ARD2ZJ82 FDA SRS
484507 eMolecules
15340052 PubChem: Thomson Pharma
3132-99-8 ACToR
MCULE-2091851410 Mcule
SCHEMBL4290 SureChEMBL
10018747 NMRShiftDB
76583 PubChem
CB9315482 ChemicalBook
124427 Brenda
55794 Brenda
16606 Brenda
ZINC000002504374 ZINC
The data in this table is sourced from UniChem at EBI.