Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C20H19NO2/c1-3-11-18(20(22)23-4-2)21-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h1,5-10,12-15,18H,4,11H2,2H3
SMILES	CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)CC#C
InChI Key	NRSOKXSYKBYBOO-UHFFFAOYSA-N
Molecular Formula	C20H19NO2
Exact Mass	305.370 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NRSOKXSYKBYBOO-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NRSOKXSYKBYBOO-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Irina Protasova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:28:38.501160
MetadataModified	2024-09-07T13:59:19.871240
MetadataPublished	2015-05-11

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11833691	PubChem
16951601	PubChem: Thomson Pharma
DTXSID60474223	EPA CompTox Dashboard
J1.491.339D	Nikkaji
SCHEMBL12761879	SureChEMBL
The data in this table is sourced from UniChem at EBI.