Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C6H18N3O6P3/c1-10-16(11-2)7-17(12-3,13-4)9-18(8-16,14-5)15-6/h1-6H3
SMILES	COP1(=NP(=NP(=N1)(OC)OC)(OC)OC)OC
InChI Key	CNQBXJDCTHCEFG-UHFFFAOYSA-N
Exact Mass	321.145 g/mol

Data and Resources

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

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CNQBXJDCTHCEFG-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CNQBXJDCTHCEFG-UHFFFAOYSA-N/CHMO0000593
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-19
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	date : 2026-01-16 starting time : 09:26:08 UTC creator : Sylvia Vanderheiden-Schroen label : CCP-3795 id : 402580 Solvent : CDCl3 temperature : 297.998450134249 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin date : 2026-01-16 starting time : 16:23:47 UTC creator : Sylvia Vanderheiden-Schroen label : CCP-3795 id : 402580 Solvent : DMSO temperature : 297.999587944876 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
8504571	surechembl
136772	pubchem
Molport-001-770-604	molport
The data in this table is sourced from UniChem at EBI.