Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C18H18O/c1-3-14-4-2-13(1)5-6-15-8-10-16(9-7-14)17(11-15)18-12-19-18/h1-4,8,10-11,18H,5-7,9,12H2
SMILES	c1cc2CCc3ccc(CCc1cc2)c(c3)C1OC1
InChI Key	QHARUYCUDOUFLM-UHFFFAOYSA-N
Exact Mass	250.335 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/QHARUYCUDOUFLM-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/QHARUYCUDOUFLM-UHFFFAOYSA-N/CHMO0000595
Version
Author	Patrick Kern
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:49:44.919315
MetadataModified	2024-09-23T09:25:10.587846
MetadataPublished	2024-06-05

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Feb16-2022 Date : 20220217 Start time : 6.23 h Instrument : Avance NEO Label : PAK-308 ID : 106088 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J2.359.023I	Nikkaji
101405827	PubChem
The data in this table is sourced from UniChem at EBI.