Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H25ClN2O3S/c1-3-27-21(26)9-6-12-25-20-8-5-4-7-19(20)24-22(25)29-14-13-28-17-10-11-18(23)16(2)15-17/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3
SMILES	CCOC(=O)CCCn1c(SCCOc2ccc(c(c2)C)Cl)nc2c1cccc2
InChI Key	LJGVKISWFROJMH-UHFFFAOYSA-N
Molecular Formula	C22H25ClN2O3S
Exact Mass	432.963 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/LJGVKISWFROJMH-UHFFFAOYSA-N/NMR/1H/CDCl3/400.1
License URL
Source	https://www.chemotion-repository.net/inchikey/LJGVKISWFROJMH-UHFFFAOYSA-N/NMR/1H/CDCl3/400.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:18:09.812912
MetadataModified	2024-09-07T14:11:24.036320
MetadataPublished	2015-10-31
Related Molecule

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

Data-Source Molecule ID	Data-Source
92042810	PubChem
The data in this table is sourced from UniChem at EBI.