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cis-3-Iodo-1-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-4-pentyl-1-azaspiro[4.5]deca-3,6,9-trien-2-one
SpectraBase Compound ID LrTmmuK28TN
InChI InChI=1S/C18H21F5INO2/c1-3-4-5-6-13-14(24)15(26)25(2)16(13)9-7-12(8-10-16)27-11-17(19,20)18(21,22)23/h7-10,12H,3-6,11H2,1-2H3
InChIKey ZLKSZNARMMVDLA-UHFFFAOYSA-N
Mol Weight 505.27 g/mol
Molecular Formula C18H21F5INO2
Exact Mass 505.053715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8aXcpvUHGi
Name cis-3-Iodo-1-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-4-pentyl-1-azaspiro[4.5]deca-3,6,9-trien-2-one
Alternate Name(s) trans-3-Iodo-1-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-4-pentyl-1-azaspiro[4.5]deca-3,6,9-trien-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H21F5INO2
InChI InChI=1S/C18H21F5INO2/c1-3-4-5-6-13-14(24)15(26)25(2)16(13)9-7-12(8-10-16)27-11-17(19,20)18(21,22)23/h7-10,12H,3-6,11H2,1-2H3
InChIKey ZLKSZNARMMVDLA-UHFFFAOYSA-N
Molecular Weight 505.267 g/mol
SMILES C12(N(C(=O)C(=C2CCCCC)I)C)C=CC(C=C1)OCC(C(F)(F)F)(F)F
SPLASH splash10-001i-0000910000-e4a3ddbd1ddc37735ddd
Source of Spectrum F4-41-898-3rb-t
Wiley ID 1672106