Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C9H11.3CH3.Sn/c1-8(2)9-6-4-3-5-7-9;;;;/h3-6,8H,1-2H3;3*1H3;
SMILES	CC(c1ccccc1[Sn](C)(C)C)C
InChI Key	MIOGQQGGOCZKBX-UHFFFAOYSA-N
Exact Mass	282.988 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MIOGQQGGOCZKBX-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/MIOGQQGGOCZKBX-UHFFFAOYSA-N/CHMO0000593
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	date : 2025-11-24 starting time : 14:07:14 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25554 id : 355811 Solvent : CDCl3 temperature : 297.99803094086 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
SCHEMBL5951966	SureChEMBL
22172888	PubChem
The data in this table is sourced from UniChem at EBI.