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1-Ethyl-3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)cyclopentanecarboxylic acid
SpectraBase Compound ID 6PX3Sr5JkwR
InChI InChI=1S/C16H16F13IO2/c1-2-10(9(31)32)3-7(8(4-10)6-30)5-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h7-8H,2-6H2,1H3,(H,31,32)/t7-,8+,10+/m0/s1
InChIKey BXLKMAQTHWDPRM-QXFUBDJGSA-N
Mol Weight 614.19 g/mol
Molecular Formula C16H16F13IO2
Exact Mass 613.998741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89XfAL5fkHU
Name 1-Ethyl-3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)cyclopentanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F13IO2
InChI InChI=1S/C16H16F13IO2/c1-2-10(9(31)32)3-7(8(4-10)6-30)5-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h7-8H,2-6H2,1H3,(H,31,32)/t7-,8+,10+/m0/s1
InChIKey BXLKMAQTHWDPRM-QXFUBDJGSA-N
Molecular Weight 614.186 g/mol
SMILES OC([C@@]1(C[C@@](CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)([C@](C1)(CI)[H])[H])CC)=O
SPLASH splash10-0007-0003900000-813b8d2ac44b460f2e11
Source of Spectrum F-66-7293-4ba
Wiley ID 1681134