Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C42H52O4/c1-25(2)39(43)33-17-9-29(10-18-33)37(30-11-19-34(20-12-30)40(44)26(3)4)38(31-13-21-35(22-14-31)41(45)27(5)6)32-15-23-36(24-16-32)42(46)28(7)8/h9-28,39-46H,1-8H3
SMILES	OC(c1ccc(cc1)/C(=C(\c1ccc(cc1)C(C(C)C)O)/c1ccc(cc1)C(C(C)C)O)/c1ccc(cc1)C(C(C)C)O)C(C)C
InChI Key	ADDOCBLMGWTAED-UHFFFAOYSA-N
Molecular Formula	C42H52O4
Exact Mass	620.860 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ADDOCBLMGWTAED-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ADDOCBLMGWTAED-UHFFFAOYSA-N/CHMO0000593
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:37:25.687924
MetadataModified	2024-09-07T18:35:01.467305
MetadataPublished	2020-08-26
Related Molecule

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

Data-Source Molecule ID	Data-Source
154573659	PubChem
The data in this table is sourced from UniChem at EBI.