Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C34H27BrO9/c35-30-29(44-34(39)25-19-11-4-12-20-25)28(43-33(38)24-17-9-3-10-18-24)27(42-32(37)23-15-7-2-8-16-23)26(41-30)21-40-31(36)22-13-5-1-6-14-22/h1-20,26-30H,21H2/t26?,27-,28+,29?,30+/m1/s1
SMILES	Br[C@H]1OC(COC(=O)c2ccccc2)[C@H]([C@@H](C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChI Key	WISFGQOOKBVKPD-BXPSCVRSSA-N
Molecular Formula	C34H27BrO9
Exact Mass	659.477 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WISFGQOOKBVKPD-BXPSCVRSSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WISFGQOOKBVKPD-BXPSCVRSSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:21:41.345509
MetadataModified	2024-09-07T15:29:34.500224
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
118970530	PubChem
SCHEMBL17620209	SureChEMBL
The data in this table is sourced from UniChem at EBI.