Dataset

process

Chemical Info

InChI	InChI=1S/C26H23ClO4/c27-24(16-31-26(30)22-4-2-1-3-21(22)25(28)29)23-15-19-10-9-17-5-7-18(8-6-17)11-13-20(23)14-12-19/h1-8,12,14-15,24H,9-11,13,16H2,(H,28,29)
SMILES	ClC(c1cc2CCc3ccc(CCc1cc2)cc3)COC(=O)c1ccccc1C(=O)O
InChI Key	RQJMVWFPHPJEEO-UHFFFAOYSA-N
Exact Mass	434.911 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RQJMVWFPHPJEEO-UHFFFAOYSA-N/BFO0000015
License URL
Source	https://www.chemotion-repository.net/inchikey/RQJMVWFPHPJEEO-UHFFFAOYSA-N/BFO0000015
Version
Author	Patrick Kern
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:50:28.665907
MetadataModified	2024-09-23T09:25:12.786841
MetadataPublished	2024-06-05

Field	Value
Measurement Technique	process
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : Dec22-2022 date : 20221222 starting time : 13.28 h instrument : Avance NEO label : PAK-720 id : 255250 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.