Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C12H14O2S/c1-14-10-2-4-11(5-3-10)15(13)12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
SMILES	COc1ccc(cc1)S(=O)C12CC(C1)C2
InChI Key	IFBUZUJIVRGJML-UHFFFAOYSA-N
Molecular Formula	C12H14O2S
Exact Mass	222.303 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IFBUZUJIVRGJML-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/IFBUZUJIVRGJML-UHFFFAOYSA-N/CHMO0001146
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:37:59.734932
MetadataModified	2024-09-08T01:37:59.734938
MetadataPublished	2023-09-19

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
168499173	PubChem
The data in this table is sourced from UniChem at EBI.