Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C20H20O2/c1-13(2)17-10-9-14(3)19-18(17)12-16(20(21)22-19)11-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3
SMILES	O=c1oc2c(C)ccc(c2cc1Cc1ccccc1)C(C)C
InChI Key	PFSLDHWSUPFZPK-UHFFFAOYSA-N
Molecular Formula	C20H20O2
Exact Mass	292.372 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PFSLDHWSUPFZPK-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/PFSLDHWSUPFZPK-UHFFFAOYSA-N/CHMO0001146
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:18:16.630860
MetadataModified	2024-09-07T20:45:06.002501
MetadataPublished	2021-12-17

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL470224	ChEMBL
24708496	PubChem: Thomson Pharma
16066912	PubChem
50278475	BindingDB
ZINC000034985793	ZINC
The data in this table is sourced from UniChem at EBI.