Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H17BrO2S/c1-5-19-16(18)15-8-13(11(4)20-15)12-6-10(3)14(17)7-9(12)2/h6-8H,5H2,1-4H3
SMILES	CCOC(=O)c1sc(c(c1)c1cc(C)c(cc1C)Br)C
InChI Key	DMUOHKUJVVFWET-UHFFFAOYSA-N
Molecular Formula	C16H17BrO2S
Exact Mass	353.274 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DMUOHKUJVVFWET-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/DMUOHKUJVVFWET-UHFFFAOYSA-N/CHMO0000593
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:26:22.130601
MetadataModified	2024-09-07T18:20:14.778221
MetadataPublished	2020-08-05
Related Molecule

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

Data-Source Molecule ID	Data-Source
138453755	PubChem
The data in this table is sourced from UniChem at EBI.