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11-[(E)-Hydroxyimino]-2,3,4.5,6,11-hexahydro-3a-aza-1-azoniabenzo[a]cyclopenta[d]cyclooctene trifluoromethanesulfonate
SpectraBase Compound ID BAWHQK6F1tf
InChI InChI=1S/C13H15N3O.CHF3O3S/c17-15-12-11-6-2-1-4-10(11)5-3-8-16-9-7-14-13(12)16;2-1(3,4)8(5,6)7/h1-2,4,6,17H,3,5,7-9H2;(H,5,6,7)/b15-12+;
InChIKey ZMRCZLWXCVBJPE-JRUHLWALSA-N
Mol Weight 379.35 g/mol
Molecular Formula C14H16F3N3O4S
Exact Mass 379.081362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C7Wv1Heuaw
Name 11-[(E)-Hydroxyimino]-2,3,4.5,6,11-hexahydro-3a-aza-1-azoniabenzo[a]cyclopenta[d]cyclooctene trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16F3N3O4S
InChI InChI=1S/C13H15N3O.CHF3O3S/c17-15-12-11-6-2-1-4-10(11)5-3-8-16-9-7-14-13(12)16;2-1(3,4)8(5,6)7/h1-2,4,6,17H,3,5,7-9H2;(H,5,6,7)/b15-12+;
InChIKey ZMRCZLWXCVBJPE-JRUHLWALSA-N
Molecular Weight 379.354 g/mol
SMILES C(S(=O)(=O)[O-])(F)(F)F.[NH+]=1CCN2CCCc3c(\C(=N/O)C12)cccc3
SPLASH splash10-00or-6190000000-a41b84d5470160bafd35
Source of Spectrum F-63-3326-14
Synonyms (12E)-12-(hydroxyimino)-2,3,5,6,7,12-hexahydroimidazo[2,1-b][3]benzazocin-1-ium trifluoromethanesulfonate
Wiley ID 1632964