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Diethyl 4-(7-chlorododecafluoroheptyl)-3-iodomethylcyclopentane-1,1-dicarboxylate

View entire compound with spectra: 1 MS (GC)

Diethyl 4-(7-chlorododecafluoroheptyl)-3-iodomethylcyclopentane-1,1-dicarboxylate
SpectraBase Compound ID AnGJE7uYkny
InChI InChI=1S/C19H20ClF12IO4/c1-3-36-11(34)13(12(35)37-4-2)5-9(7-33)10(6-13)15(23,24)17(27,28)19(31,32)18(29,30)16(25,26)14(21,22)8-20/h9-10H,3-8H2,1-2H3
InChIKey PTBMBGYOQSRKMO-UHFFFAOYSA-N
Mol Weight 702.7 g/mol
Molecular Formula C19H20ClF12IO4
Exact Mass 701.99032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wZ6ooqaQzc
Name Diethyl 4-(7-chlorododecafluoroheptyl)-3-iodomethylcyclopentane-1,1-dicarboxylate
Alternate Name(s) diethyl 3-(7-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-(iodomethyl)-1,1-cyclopentanedicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClF12IO4
InChI InChI=1S/C19H20ClF12IO4/c1-3-36-11(34)13(12(35)37-4-2)5-9(7-33)10(6-13)15(23,24)17(27,28)19(31,32)18(29,30)16(25,26)14(21,22)8-20/h9-10H,3-8H2,1-2H3
InChIKey PTBMBGYOQSRKMO-UHFFFAOYSA-N
Molecular Weight 702.703 g/mol
SMILES C(C(C(C(F)(F)CCl)(F)F)(F)F)(C(C(C1CC(C(=O)OCC)(C(=O)OCC)CC1CI)(F)F)(F)F)(F)F
SPLASH splash10-0uk9-0000050900-e21bd697466da6373a2d
Source of Spectrum KC-0-1731-3
Wiley ID 784057