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/C22H24OSi/c1-22(2,3)23-24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
SMILES CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
InChI Key FHHMWSLXUHVMKH-UHFFFAOYSA-N
Exact Mass 332.511 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FHHMWSLXUHVMKH-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/FHHMWSLXUHVMKH-UHFFFAOYSA-N/CHMO0001148
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
date : 2025-11-26

starting time : 06:39:27 UTC

creator : Sylvia Vanderheiden-Schroen

label : ComP-24379

id : 355592

Solvent : CDCl3

temperature : 298.003690051609 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
704060 surechembl
13066038 pubchem
DUPFIE CCDC
The data in this table is sourced from UniChem at EBI.