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N,1-Bis(2-chloro-2,3,3,3-tetrafluoropropyl)-1H-indazol-6-amine
SpectraBase Compound ID D1AjGqr1GV1
InChI InChI=1S/C13H9Cl2F8N3/c14-10(16,12(18,19)20)5-24-8-2-1-7-4-26(25-9(7)3-8)6-11(15,17)13(21,22)23/h1-4,24H,5-6H2
InChIKey RFVBIYCFZIDIHI-UHFFFAOYSA-N
Mol Weight 430.13 g/mol
Molecular Formula C13H9Cl2F8N3
Exact Mass 429.004578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2thBGazNR7j
Name N,1-Bis(2-chloro-2,3,3,3-tetrafluoropropyl)-1H-indazol-6-amine
Appearance Purple oil
Carrier Gas Helium
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Exact Mass 429.004578006 u
Formula C13H9Cl2F8N3
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C13H9Cl2F8N3/c14-10(16,12(18,19)20)5-24-8-2-1-7-4-26(25-9(7)3-8)6-11(15,17)13(21,22)23/h1-4,24H,5-6H2
InChIKey RFVBIYCFZIDIHI-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 430.129 g/mol
Quality 299
Reported Formula C13H9Cl2F8N
SMILES N(C=1C=CC2=CN(CC(F)(Cl)C(F)(F)F)N=C2C1)CC(Cl)(F)C(F)(F)F
SPLASH splash10-0006-1190200000-0884fc386e9df74ca1b5
Source of Spectrum ACI-61-SM54-50 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.83 (hexane/ethyl acetate, 2:1)
Wiley ID 1897980