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2,16-bis(2,2,3,3,4,4,4-heptafluorobutyl)-3,17-bis(iodomethyl)-7,12,20,23-tetraoxatetraspiro[4.2.2.2.4(14.2)11.2(8.2)5]tetracosane-6,13,19,24-tetrone

View entire compound with spectra: 1 MS (GC)

2,16-bis(2,2,3,3,4,4,4-heptafluorobutyl)-3,17-bis(iodomethyl)-7,12,20,23-tetraoxatetraspiro[4.2.2.2.4(14.2)11.2(8.2)5]tetracosane-6,13,19,24-tetrone
SpectraBase Compound ID Kk8PndkiK6I
InChI InChI=1S/C30H28F14I2O8/c31-25(32,27(35,36)29(39,40)41)9-13-5-21(7-15(13)11-45)17(47)51-23(52-18(21)48)1-2-24(4-3-23)53-19(49)22(20(50)54-24)6-14(16(8-22)12-46)10-26(33,34)28(37,38)30(42,43)44/h13-16H,1-12H2
InChIKey OHHNVICNCCANMM-UHFFFAOYSA-N
Mol Weight 1036.33 g/mol
Molecular Formula C30H28F14I2O8
Exact Mass 1035.965002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HobRgPNdrJx
Name 2,16-bis(2,2,3,3,4,4,4-heptafluorobutyl)-3,17-bis(iodomethyl)-7,12,20,23-tetraoxatetraspiro[4.2.2.2.4(14.2)11.2(8.2)5]tetracosane-6,13,19,24-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28F14I2O8
InChI InChI=1S/C30H28F14I2O8/c31-25(32,27(35,36)29(39,40)41)9-13-5-21(7-15(13)11-45)17(47)51-23(52-18(21)48)1-2-24(4-3-23)53-19(49)22(20(50)54-24)6-14(16(8-22)12-46)10-26(33,34)28(37,38)30(42,43)44/h13-16H,1-12H2
InChIKey OHHNVICNCCANMM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890375
Molecular Weight 1036.333 g/mol
SMILES C12(CC(CC(C(C(F)(F)F)(F)F)(F)F)C(CI)C2)C(=O)OC2(OC1=O)CCC1(OC(=O)C3(C(=O)O1)CC(CC(C(C(F)(F)F)(F)F)(F)F)C(CI)C3)CC2
SPLASH splash10-03y3-9260300000-b0447f2b5ae86f3384ea
Source of Spectrum CJC-26-2104-4a
Wiley ID 1772144