Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C16H22BrF2N3O2/c1-6-24-15(23)16(18,19)13-9-12(17)7-8-14(13)20-21-22(10(2)3)11(4)5/h7-11H,6H2,1-5H3/b21-20+
SMILES	CCOC(=O)C(c1cc(Br)ccc1/N=N/N(C(C)C)C(C)C)(F)F
InChI Key	JGJBOZTZOHTXPZ-QZQOTICOSA-N
Molecular Formula	C16H22BrF2N3O2
Exact Mass	406.266 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JGJBOZTZOHTXPZ-QZQOTICOSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/JGJBOZTZOHTXPZ-QZQOTICOSA-N/Mass/EI
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:03:03.240152
MetadataModified	2024-09-07T13:30:32.226390
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.251.963F	Nikkaji
The data in this table is sourced from UniChem at EBI.