Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C11H12N2O/c14-11-8-2-1-5-12-10(8)9(13-11)6-7-3-4-7/h1-2,5,7,9H,3-4,6H2,(H,13,14)
SMILES	O=C1NC(c2c1cccn2)CC1CC1
InChI Key	QGEQHQUHIHTXQK-UHFFFAOYSA-N
Exact Mass	188.226 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QGEQHQUHIHTXQK-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QGEQHQUHIHTXQK-UHFFFAOYSA-N/CHMO0000595
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-04-21
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-03-27 Start time : 02:53:34 UTC Creator : Philip Freund Label : PFR-98 ID : 154036 Solvent : CDCl3 Temperature : 304.0003 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect Name : Parameter file, TOPSPIN Version 3.2 Version : Parameter file, TOPSPIN Version 3.2

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