Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C23H28N2O3S/c1-4-27-21(26)13-8-14-25-20-12-6-5-11-19(20)24-23(25)29-16-15-28-22-17(2)9-7-10-18(22)3/h5-7,9-12H,4,8,13-16H2,1-3H3
SMILES	CCOC(=O)CCCn1c(SCCOc2c(C)cccc2C)nc2c1cccc2
InChI Key	PVFVLXVMUWVROC-UHFFFAOYSA-N
Molecular Formula	C23H28N2O3S
Exact Mass	412.545 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/PVFVLXVMUWVROC-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source	https://www.chemotion-repository.net/inchikey/PVFVLXVMUWVROC-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:29:48.044361
MetadataModified	2024-09-07T14:00:50.575373
MetadataPublished	2015-05-12

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
91754992	PubChem
The data in this table is sourced from UniChem at EBI.