Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H13NO/c1-2-7-13-10-4-3-9-5-6-12-11(9)8-10/h3-6,8,12H,2,7H2,1H3
SMILES	CCCOc1ccc2c(c1)[nH]cc2
InChI Key	JDVBDXYYRDRFRP-UHFFFAOYSA-N
Molecular Formula	C11H13NO
Exact Mass	175.227 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JDVBDXYYRDRFRP-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/JDVBDXYYRDRFRP-UHFFFAOYSA-N/CHMO0000595
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:26:43.277988
MetadataModified	2024-09-08T01:26:43.277993
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
524511	PubChem
SCHEMBL3790084	SureChEMBL
The data in this table is sourced from UniChem at EBI.