Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H13NO3/c1-15-4-5-16-10-2-3-11-9(8-14)7-13-12(11)6-10/h2-3,6-8,13H,4-5H2,1H3
SMILES	COCCOc1ccc2c(c1)[nH]cc2C=O
InChI Key	LNEZZIODZYSDBG-UHFFFAOYSA-N
Molecular Formula	C12H13NO3
Exact Mass	219.237 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/LNEZZIODZYSDBG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LNEZZIODZYSDBG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:19:34.919693
MetadataModified	2024-09-08T01:19:34.919698
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables