Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H23N3OS/c1-2-13-22-21(26)24-23-20(25)19-14-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h2-6,10,12,14H,1,7-9,11,13H2,(H,23,25)(H2,22,24,26)
SMILES	C=CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	MGWQWXRMOUQWNJ-UHFFFAOYSA-N
Molecular Formula	C21H23N3OS
Exact Mass	365.492 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MGWQWXRMOUQWNJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/MGWQWXRMOUQWNJ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Lamiaa Abdelhaleem
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:39:00.758344
MetadataModified	2024-09-08T04:39:00.758350
MetadataPublished	2024-09-01

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

Data-Source Molecule ID	Data-Source
165112010	PubChem
The data in this table is sourced from UniChem at EBI.