Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3
SMILES	CCOC(=O)c1cc(c(s1)C)B1OC(C(O1)(C)C)(C)C
InChI Key	HPHPLVDTSMAOKA-UHFFFAOYSA-N
Molecular Formula	C14H21BO4S
Exact Mass	296.190 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HPHPLVDTSMAOKA-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/HPHPLVDTSMAOKA-UHFFFAOYSA-N/CHMO0000593
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:28:30.000194
MetadataModified	2024-09-07T18:23:04.009116
MetadataPublished	2020-08-06
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453618	PubChem
The data in this table is sourced from UniChem at EBI.