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6,9-Methano-1,5-nitrilo-1H-1,5,2,4,3-benzodithiadiazaphosphepine, 3,3,5a,6,9,9a-hexahydro-3,3-bis(trifluoromethyl)-, (1.alpha.,5.alpha.,5a.beta.,6.alpha.,9.alpha.,9a.beta.)-
SpectraBase Compound ID KIsfa6l01kh
InChI InChI=1S/C9H8F6N3PS2/c10-8(11,12)19(9(13,14)15)16-20-6-4-1-2-5(3-4)7(6)21(17-19)18-20/h1-2,4-7H,3H2/t4-,5+,6+,7-,20?,21?
InChIKey UAFDAXZFBQXAHI-VWPQUZJBSA-N
Mol Weight 367.27 g/mol
Molecular Formula C9H8F6N3PS2
Exact Mass 366.980146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mEqmnbXHin
Name 6,9-Methano-1,5-nitrilo-1H-1,5,2,4,3-benzodithiadiazaphosphepine, 3,3,5a,6,9,9a-hexahydro-3,3-bis(trifluoromethyl)-, (1.alpha.,5.alpha.,5a.beta.,6.alpha.,9.alpha.,9a.beta.)-
CAS Registry Number 90601-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8F6N3PS2
InChI InChI=1S/C9H8F6N3PS2/c10-8(11,12)19(9(13,14)15)16-20-6-4-1-2-5(3-4)7(6)21(17-19)18-20/h1-2,4-7H,3H2/t4-,5+,6+,7-,20?,21?
InChIKey UAFDAXZFBQXAHI-VWPQUZJBSA-N
Molecular Weight 367.268 g/mol
SMILES [C@]12([s@@]3np(n[s@]([C@@]1([C@]1(C=C[C@@]2(C1)[H])[H])[H])n3)(C(F)(F)F)C(F)(F)F)[H]
SPLASH splash10-004l-9070000000-f2d639e25f3f12857de0
Source of Spectrum K-117-1589-0
Synonyms (2R,3R,6S,7S)-10,10-bis(trifluoromethyl)-1lambda(4),8lambda(4)-dithia-9,11,12-triaza-10lambda(5)-phosphatetracyclo[6.3.1.1(3,6).0(2,7)]trideca-1(12),4,8,10-tetraene Adduct of 1,1-bis(trifluoromethyl)cyclo-1.lambda.5-phospha-3,5-dithia-2,4,6-triazene and norbornadiene
Wiley ID 1352385