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1-(1'-[(1''-DIMETHYLAMINO-2'',2'',2''-TRIFLUOROETHYLIDENE)-HYDRAZONO-2',2',2'-TRIFUOROETHYL)-3A,7A-DIHYDRO-1H-INDAZOLE
SpectraBase Compound ID 6OVgFxOAVbs
InChI InChI=1S/C13H13F6N5/c1-23(2)10(12(14,15)16)21-22-11(13(17,18)19)24-9-6-4-3-5-8(9)7-20-24/h3-9H,1-2H3/b21-10-,22-11+
InChIKey RQJTZHAANZPGPN-PANSPLHPSA-N
Mol Weight 353.27 g/mol
Molecular Formula C13H13F6N5
Exact Mass 353.107514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaxTjsTnX3S
Name 1-{1'-[(1''-dimethylamino-2'',2'',2'-trifluoroethylidene)hydrazono]2',2',2'-trifluoroethyl}-3a,7a-dihydro-1H-indazole
Alternate Name(s) (1Z)-N'-[(E)-1-(3a,7a-dihydro-1H-indazol-1-yl)-2,2,2-trifluoroethylidene]-2,2,2-trifluoro-N,N-dimethylethanehydrazonamide 1-{1'-[(1''-dimethylamino-2'',2'',2'-trifluoroethylidene)hydrazono]2',2',2'-trifluoroethyl}-3a,7a-dihydro-1H-indazole
CAS Registry Number 137233-25-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F6N5
InChI InChI=1S/C13H13F6N5/c1-23(2)10(12(14,15)16)21-22-11(13(17,18)19)24-9-6-4-3-5-8(9)7-20-24/h3-9H,1-2H3/b21-10-,22-11+
InChIKey RQJTZHAANZPGPN-PANSPLHPSA-N
Molecular Weight 353.272 g/mol
SMILES C1=NN(\C(=N\N=C\(C(F)(F)F)N(C)C)C(F)(F)F)C2C1C=CC=C2
SPLASH splash10-03di-0900000000-7e7e563139bd0398310d
Source of Spectrum K-125-176-27
Wiley ID 1343786