Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C14H22N2O4S/c1-13(2,3)19-11(17)15-9-7-21-8-10(9)16-12(18)20-14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18)
SMILES	O=C(Nc1cscc1NC(=O)OC(C)(C)C)OC(C)(C)C
InChI Key	RZTIDQOQMAWXGI-UHFFFAOYSA-N
Exact Mass	314.400 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RZTIDQOQMAWXGI-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/RZTIDQOQMAWXGI-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-08-15 starting time : 23:44:27 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25224 id : 355781 Solvent : CDCl3 temperature : 297.99150350095 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
21794094	PubChem
SCHEMBL1066439	SureChEMBL
J1.321.862E	Nikkaji
The data in this table is sourced from UniChem at EBI.