Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C17H17BrO7/c1-8-6-10(22-2)13-9(19)7-17(16(21)23-3,25-15(13)14(8)18)11-4-5-12(20)24-11/h6,11H,4-5,7H2,1-3H3
SMILES	COC(=O)C1(CC(=O)c2c(O1)c(Br)c(cc2OC)C)C1CCC(=O)O1
InChI Key	NTKMQGUQMVLCRK-UHFFFAOYSA-N
Molecular Formula	C17H17BrO7
Exact Mass	413.217 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/NTKMQGUQMVLCRK-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NTKMQGUQMVLCRK-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:31.909333
MetadataModified	2024-09-07T15:21:58.829211
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables