Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H17N5S/c1-8(2)16-7-15-9-10(12-4-5-17-3)13-6-14-11(9)16/h6-8H,4-5H2,1-3H3,(H,12,13,14)
SMILES	CSCCNc1ncnc2c1ncn2C(C)C
InChI Key	NEHPRVYJYMNUAK-UHFFFAOYSA-N
Molecular Formula	C11H17N5S
Exact Mass	251.351 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/NEHPRVYJYMNUAK-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/NEHPRVYJYMNUAK-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:37:16.953660
MetadataModified	2024-09-07T11:58:28.357341
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427267	PubChem
The data in this table is sourced from UniChem at EBI.