Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H17NO3/c1-3-21-17(20)15-6-4-13(5-7-15)14-8-10-16(11-9-14)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19)
SMILES	CCOC(=O)c1ccc(cc1)c1ccc(cc1)NC(=O)C
InChI Key	KLUPEIFGVJLRNQ-UHFFFAOYSA-N
Molecular Formula	C17H17NO3
Exact Mass	283.322 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KLUPEIFGVJLRNQ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/KLUPEIFGVJLRNQ-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:41:17.506445
MetadataModified	2024-09-07T14:31:05.474436
MetadataPublished	2018-07-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
134688952	PubChem
The data in this table is sourced from UniChem at EBI.