Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H21NO/c23-21(19-12-5-2-6-13-19)22-20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17/h1,3-4,7-11,14,19H,2,5-6,12-13H2,(H,22,23)
SMILES	O=C(C1CCCCC1)Nc1ccccc1C#Cc1ccccc1
InChI Key	QKXLAFXDZXSNOM-UHFFFAOYSA-N
Molecular Formula	C21H21NO
Exact Mass	303.398 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QKXLAFXDZXSNOM-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/QKXLAFXDZXSNOM-UHFFFAOYSA-N/CHMO0000593
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:22:51.607025
MetadataModified	2024-09-07T23:03:17.507539
MetadataPublished	2022-09-15
Related Molecule

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

Data-Source Molecule ID	Data-Source
164889728	PubChem
The data in this table is sourced from UniChem at EBI.