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(1S,4Z,8R)-8-[[2-methyl-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]-1-cyclooct-4-enecarboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1S,4Z,8R)-8-[[2-methyl-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]-1-cyclooct-4-enecarboxylic acid methyl ester
SpectraBase Compound ID 73MV1h4gn52
InChI InChI=1S/C16H23F3N2O4/c1-15(2,21-14(24)16(17,18)19)13(23)20-11-9-7-5-4-6-8-10(11)12(22)25-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)(H,21,24)/b5-4-/t10-,11+/m0/s1
InChIKey GOIJQRMWLJRURT-NRFYAWERSA-N
Mol Weight 364.37 g/mol
Molecular Formula C16H23F3N2O4
Exact Mass 364.160992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LW6gTWWXSIr
Name (1S,4Z,8R)-8-[[2-methyl-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]-1-cyclooct-4-enecarboxylic acid methyl ester
Alternate Name(s) (1S,4Z,8R)-8-[[2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]cyclooct-4-ene-1-carboxylic acid methyl ester Methyl (1S,4Z,8R)-8-[[2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]cyclooct-4-ene-1-carboxylate Methyl (1S,4Z,8R)-8-[[2-methyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]amino]cyclooct-4-ene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23F3N2O4
InChI InChI=1S/C16H23F3N2O4/c1-15(2,21-14(24)16(17,18)19)13(23)20-11-9-7-5-4-6-8-10(11)12(22)25-3/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)(H,21,24)/b5-4-/t10-,11+/m0/s1
InChIKey GOIJQRMWLJRURT-NRFYAWERSA-N
Molecular Weight 364.365 g/mol
SMILES N(C(C(F)(F)F)=O)C(C(N[C@]1([C@@](C(=O)OC)(CC\C=C/CC1)[H])[H])=O)(C)C
SPLASH splash10-06si-0934000000-2baa92bd3d4972df9877
Source of Spectrum E2-49-1180-5
Wiley ID 1555734