Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2
SMILES	C#CC(=O)OCC(COC(=O)C#C)(COC(=O)C#C)COC(=O)C#C
InChI Key	XOTGTQGTNTVMPG-UHFFFAOYSA-N
Molecular Formula	C17H12O8
Exact Mass	344.272 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/XOTGTQGTNTVMPG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XOTGTQGTNTVMPG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:34:57.351371
MetadataModified	2024-09-07T18:32:01.537022
MetadataPublished	2020-08-08

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables