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/2C9H11.2CH3.Sn/c2*1-8(2)9-6-4-3-5-7-9;;;/h2*3-6,8H,1-2H3;2*1H3;
SMILES CC(c1ccccc1[Sn](c1ccccc1C(C)C)(C)C)C
InChI Key KXYVKDRBLYMEHG-UHFFFAOYSA-N
Exact Mass 387.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KXYVKDRBLYMEHG-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/KXYVKDRBLYMEHG-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 : 2025-12-06

starting time : 07:28:21 UTC

creator : Sylvia Vanderheiden-Schroen

label : ComP-25553

id : 355812

Solvent : CDCl3

temperature : 297.994228257977 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
177747859 pubchem
The data in this table is sourced from UniChem at EBI.