Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C18H18O2/c1-11-7-5-8-12(2)15(11)17(19)18(20)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
SMILES	O=C(c1c(C)cccc1C)C(=O)c1c(C)cccc1C
InChI Key	ZWDSNUZJJMNTFC-UHFFFAOYSA-N
Molecular Formula	C18H18O2
Exact Mass	266.334 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZWDSNUZJJMNTFC-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ZWDSNUZJJMNTFC-UHFFFAOYSA-N/CHMO0000593
Version
Author	N. Maximilian Bojanowski
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:53:46.642001
MetadataModified	2024-09-07T23:44:06.178419
MetadataPublished	2022-11-04
Related Molecule

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

Data-Source Molecule ID	Data-Source
11747531	PubChem
J1.170.053E	Nikkaji
16854974	PubChem: Thomson Pharma
29371604	eMolecules
ZINC000036406738	ZINC
The data in this table is sourced from UniChem at EBI.