Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H9NO3/c1-5-3-7-6(4-8(5)14-2)9(12)10(13)11-7/h3-4H,1-2H3,(H,11,12,13)
SMILES	COc1cc2c(cc1C)NC(=O)C2=O
InChI Key	SXCZRQXECZWRJN-UHFFFAOYSA-N
Molecular Formula	C10H9NO3
Exact Mass	191.183 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/SXCZRQXECZWRJN-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source	https://www.chemotion-repository.net/inchikey/SXCZRQXECZWRJN-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:34:08.741520
MetadataModified	2024-09-07T14:07:29.338040
MetadataPublished	2015-09-21

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

Data-Source Molecule ID	Data-Source
54329184	PubChem
SCHEMBL3131458	SureChEMBL
The data in this table is sourced from UniChem at EBI.