Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C18H22O2/c1-20-18(13-3-2-4-16(19)10-13)17-14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15,19H,5-9H2,1H3/b18-17-
SMILES	CO/C(=C/1\C2CC3CC1CC(C2)C3)/c1cccc(c1)O
InChI Key	UOQZATKCYBGHSE-ZCXUNETKSA-N
Molecular Formula	C18H22O2
Exact Mass	270.366 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UOQZATKCYBGHSE-ZCXUNETKSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/UOQZATKCYBGHSE-ZCXUNETKSA-N/CHMO0000593
Version
Author	Nilima Manoj Kumar
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:42:44.795393
MetadataModified	2024-09-07T22:17:12.718319
MetadataPublished	2022-04-19

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

Data-Source Molecule ID	Data-Source
SCHEMBL734321	SureChEMBL
The data in this table is sourced from UniChem at EBI.