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/C7H12SSi/c1-9(2,3)7-5-4-6-8-7/h4-6H,1-3H3
SMILES C[Si](c1cccs1)(C)C
InChI Key OANGLGSZPSFVDY-UHFFFAOYSA-N
Molecular Formula C7H12SSi
Exact Mass 156.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OANGLGSZPSFVDY-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/OANGLGSZPSFVDY-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 : 10:47:21 UTC

creator : Sylvia Vanderheiden-Schroen

label : ComP-25558

id : 355809

Solvent : CDCl3

temperature : 297.993629410279 K

PULPROG : hmbcgpndqf

number of scans : 8 scans

instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
DTXSID30171297 EPA CompTox Dashboard
ZINC000169743150 ZINC
J567.218J Nikkaji
140360 PubChem
CB5190511 ChemicalBook
15922705 PubChem: Thomson Pharma
18245-28-8 ACToR
497703 eMolecules
SCHEMBL2341397 SureChEMBL
20050834 NMRShiftDB
The data in this table is sourced from UniChem at EBI.