Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)
SMILES	Cc1cc(ccc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
InChI Key	OPHZSEABTWHYKH-UHFFFAOYSA-N
Molecular Formula	C21H16O4
Exact Mass	332.349 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/OPHZSEABTWHYKH-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OPHZSEABTWHYKH-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:26:07.530001
MetadataModified	2024-09-07T18:20:03.776496
MetadataPublished	2020-08-05

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables