Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C18H16Br2O4/c1-23-17(21)11-3-5-15(13(7-11)9-19)16-6-4-12(18(22)24-2)8-14(16)10-20/h3-8H,9-10H2,1-2H3
SMILES	COC(=O)c1ccc(c(c1)CBr)c1ccc(cc1CBr)C(=O)OC
InChI Key	GWCNGHFRHSURHR-UHFFFAOYSA-N
Molecular Formula	C18H16Br2O4
Exact Mass	456.125 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GWCNGHFRHSURHR-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/GWCNGHFRHSURHR-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:27:18.206232
MetadataModified	2024-09-07T18:21:35.697953
MetadataPublished	2020-08-05

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427291	PubChem
SCHEMBL16938242	SureChEMBL
The data in this table is sourced from UniChem at EBI.