Dataset

Bisphenol A bis(3-chloro-2-hydroxypropyl) ether

Chemical Info

InChI	InChI=1S/C21H26Cl2O4/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,24-25H,11-14H2,1-2H3
SMILES	CC(C)(C1=CC=C(C=C1)OCC(CCl)O)C2=CC=C(C=C2)OCC(CCl)O
InChI Key	PTCFDJRJOGPUFE-UHFFFAOYSA-N
Molecular Formula	C21H26Cl2O4
Exact Mass	412.121 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU581351
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:48:36.427525
MetadataModified	2025-02-08T19:11:24.015167
MetadataPublished	2019-11-23

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J23.141J	Nikkaji
3479589	PubChem
482896	eMolecules
16052296	PubChem: Thomson Pharma
SCHEMBL6131219	SureChEMBL
The data in this table is sourced from UniChem at EBI.