Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)
SMILES	O=C(C1CC(=O)c2c3c1c(C)[nH]c3ccc2)NCc1ccco1
InChI Key	QIROZZVNYLUVGF-UHFFFAOYSA-N
Molecular Formula	C18H16N2O3
Exact Mass	308.331 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QIROZZVNYLUVGF-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QIROZZVNYLUVGF-UHFFFAOYSA-N/CHMO0000595
Version
Author	Andreas Link
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:07:10.506884
MetadataModified	2025-01-29T16:00:54.622507
MetadataPublished	2024-10-14

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.5 K K Puls programme : zgpg30 Number of scans : 1024 Title : FP Date : 20210819 Start time : 19.10 Instrument : spect Label : CWG-162 ID : 112100 Solvent : DMSO

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