Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3
SMILES	CC1(C)OB(OC1(C)C)c1cccs1
InChI Key	FFZHICFAHSDFKZ-UHFFFAOYSA-N
Molecular Formula	C10H15BO2S
Exact Mass	210.101 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/FFZHICFAHSDFKZ-UHFFFAOYSA-N/CHMO0000595.2
License URL
Source	https://www.chemotion-repository.net/inchikey/FFZHICFAHSDFKZ-UHFFFAOYSA-N/CHMO0000595.2
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:58:29.419984
MetadataModified	2025-02-25T12:05:16.176992
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : May17-2023 Date : 20230517 Start time : 22.36 h Instrument : Avance NEO Label : HT-1257 ID : 300872 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
10703628	PubChem
193978-23-3	ACToR
1984257	eMolecules
15738013	PubChem: Thomson Pharma
SCHEMBL121468	SureChEMBL
KUJRUD	CCDC
J871.099F	Nikkaji
ZINC000169744933	ZINC
DTXSID40443735	EPA CompTox Dashboard
CB6145503	ChemicalBook
The data in this table is sourced from UniChem at EBI.