Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H31ClN4O6/c1-21(2,3)32-18(29)27(17-16(24)25-14-12-10-11-13-15(14)26-17)28(19(30)33-22(4,5)6)20(31)34-23(7,8)9/h10-13H,1-9H3
SMILES	O=C(N(c1nc2ccccc2nc1Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
InChI Key	CDTLTIBXDHDYLG-UHFFFAOYSA-N
Molecular Formula	C23H31ClN4O6
Exact Mass	494.968 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CDTLTIBXDHDYLG-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CDTLTIBXDHDYLG-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:23:37.893167
MetadataModified	2024-09-07T20:51:55.758525
MetadataPublished	2021-12-26
Related Molecule

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

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.