Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H15NO2/c1-14-10-6-7-11-9(8-10)4-3-5-12(11)13-15-2/h6-8H,3-5H2,1-2H3/b13-12-
SMILES	CO/N=C\1/CCCc2c1ccc(c2)OC
InChI Key	VUWWOMAFWYFFIK-SEYXRHQNSA-N
Molecular Formula	C12H15NO2
Exact Mass	205.253 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/VUWWOMAFWYFFIK-SEYXRHQNSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VUWWOMAFWYFFIK-SEYXRHQNSA-N/CHMO0000470
Version
Author	Simon Oßwald
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:31:35.953559
MetadataModified	2024-09-08T01:31:35.953564
MetadataPublished	2023-08-22
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14918156	PubChem
The data in this table is sourced from UniChem at EBI.