Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C14H14N2O2/c1-7-12-9(14(18)15-2)6-11(17)8-4-3-5-10(16-7)13(8)12/h3-5,9,16H,6H2,1-2H3,(H,15,18)
SMILES	CNC(=O)C1CC(=O)c2c3c1c(C)[nH]c3ccc2
InChI Key	QJYPGCPJNLNOJT-UHFFFAOYSA-N
Molecular Formula	C14H14N2O2
Exact Mass	242.273 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QJYPGCPJNLNOJT-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QJYPGCPJNLNOJT-UHFFFAOYSA-N/CHMO0000595
Version
Author	Andreas Link
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:07:33.189376
MetadataModified	2025-01-29T16:01:16.196465
MetadataPublished	2024-10-14

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.8 K K Puls programme : zgpg30 Number of scans : 1024 Title : FP Date : 20210818 Start time : 22.01 Instrument : spect Solvent : DMSO

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