Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H11NO3/c17-10-11-5-6-13-14(9-11)12-3-1-7-19-8-2-4-15(12)20-16(13)18/h5-6,9H,2,4,7-8H2
SMILES	N#Cc1ccc2c(c1)c1C#CCOCCCc1oc2=O
InChI Key	FUHXXZUHXVYRQO-UHFFFAOYSA-N
Molecular Formula	C16H11NO3
Exact Mass	265.263 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FUHXXZUHXVYRQO-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/FUHXXZUHXVYRQO-UHFFFAOYSA-N/CHMO0000593
Version
Author	Irina Balova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:03:06.787832
MetadataModified	2024-09-08T01:03:06.787838
MetadataPublished	2023-06-02
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
168301077	PubChem
The data in this table is sourced from UniChem at EBI.