Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C15H20N2O3S/c1-2-20-14(19)8-5-9-17-13-7-4-3-6-12(13)16-15(17)21-11-10-18/h3-4,6-7,18H,2,5,8-11H2,1H3
SMILES	OCCSc1nc2c(n1CCCC(=O)OCC)cccc2
InChI Key	NFWAPMBSMMBSJW-UHFFFAOYSA-N
Molecular Formula	C15H20N2O3S
Exact Mass	308.396 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/NFWAPMBSMMBSJW-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NFWAPMBSMMBSJW-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:29:45.646753
MetadataModified	2024-09-07T14:00:39.892572
MetadataPublished	2015-05-12

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

Data-Source Molecule ID	Data-Source
91754719	PubChem
The data in this table is sourced from UniChem at EBI.