Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C18H18O2/c1-12(19)17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)20/h2-5,10-11,20H,6-9H2,1H3
SMILES	CC(=O)c1c2CCc3ccc(CCc(c1O)cc2)cc3
InChI Key	KAMMTMUCBBPFBH-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/KAMMTMUCBBPFBH-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/KAMMTMUCBBPFBH-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Mark Busch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:23:51.721270
MetadataModified	2024-09-07T12:32:04.786810
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
IJUGUP	CCDC
J1.418.076A	Nikkaji
15641812	PubChem: Thomson Pharma
10611809	PubChem
The data in this table is sourced from UniChem at EBI.