Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

Molecular Image
InChI InChI=1S/C26H19Br/c27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H
SMILES Brc1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI Key MYJLJYSALGARCM-UHFFFAOYSA-N
Exact Mass 411.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MYJLJYSALGARCM-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/MYJLJYSALGARCM-UHFFFAOYSA-N/CHMO0001148
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-22T08:52:28Z
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
date : 2026-04-08

starting time : 20:52:57 UTC

creator : Sylvia Vanderheiden-Schroen

Solvent : CDCl3

temperature : 297.993809064588 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
12331161 surechembl
24882208 pubchem
DTXSID10647788 comptox
Molport-028-746-302 molport
The data in this table is sourced from UniChem at EBI.