Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C17H21F6N3O2/c1-6-28-15(27)11-7-12(16(18,19)20)14(13(8-11)17(21,22)23)24-25-26(9(2)3)10(4)5/h7-10H,6H2,1-5H3/b25-24+
SMILES	CCOC(=O)c1cc(c(c(c1)C(F)(F)F)/N=N/N(C(C)C)C(C)C)C(F)(F)F
InChI Key	CDVFKJVQQYBCLD-OCOZRVBESA-N
Molecular Formula	C17H21F6N3O2
Exact Mass	413.358 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CDVFKJVQQYBCLD-OCOZRVBESA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/CDVFKJVQQYBCLD-OCOZRVBESA-N/Mass/EI
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:03:20.005934
MetadataModified	2024-09-07T13:30:59.008311
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.