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(5R*,9R*,11E)11-(2,2,2-Trifluoroethylidene)-5,6,7,8,9,10-hexahydro-5-hydroxymethyl-2-methoxy-5,9-methano-7-oxocycloocta[b]pyridine

View entire compound with spectra: 1 MS (GC)

(5R*,9R*,11E)11-(2,2,2-Trifluoroethylidene)-5,6,7,8,9,10-hexahydro-5-hydroxymethyl-2-methoxy-5,9-methano-7-oxocycloocta[b]pyridine
SpectraBase Compound ID CdUKto5Y57t
InChI InChI=1S/C16H16F3NO3/c1-23-14-3-2-11-13(20-14)5-9-4-10(22)6-15(11,8-21)12(9)7-16(17,18)19/h2-3,7,9,21H,4-6,8H2,1H3/b12-7+/t9-,15-/m1/s1
InChIKey IGBIYFWQHYDPHW-FYCFVXMVSA-N
Mol Weight 327.3 g/mol
Molecular Formula C16H16F3NO3
Exact Mass 327.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNc12zREUh1
Name (5R*,9R*,11E)11-(2,2,2-Trifluoroethylidene)-5,6,7,8,9,10-hexahydro-5-hydroxymethyl-2-methoxy-5,9-methano-7-oxocycloocta[b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3NO3
InChI InChI=1S/C16H16F3NO3/c1-23-14-3-2-11-13(20-14)5-9-4-10(22)6-15(11,8-21)12(9)7-16(17,18)19/h2-3,7,9,21H,4-6,8H2,1H3/b12-7+/t9-,15-/m1/s1
InChIKey IGBIYFWQHYDPHW-FYCFVXMVSA-N
Molecular Weight 327.303 g/mol
SMILES OC[C@@]12\C([C@](CC(C2)=O)(Cc2c1ccc(OC)n2)[H])=C\C(F)(F)F
SPLASH splash10-004i-0389000000-e32388e95c32962dbe9d
Source of Spectrum F-54-5499-28
Synonyms (11E)11-(2,2,2-Trifluoroethylidene)-5,6,7,8,9,10-hexahydro-5-hydroxymethyl-2-methoxy-5,9-methano-7-oxocycloocta[b]pyridine
Wiley ID 806800