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(S)-4-(4-(2-(2,2,3,3,4,4,4-heptafluorobutanamido)-3-methoxy-3-oxopropyl)-2,6-diiodophenoxy)-2-iodophenyl 2,2,3,3,4,4,4-heptafluorobutanoate

View entire compound with spectra: 1 MS (GC)

(S)-4-(4-(2-(2,2,3,3,4,4,4-heptafluorobutanamido)-3-methoxy-3-oxopropyl)-2,6-diiodophenoxy)-2-iodophenyl 2,2,3,3,4,4,4-heptafluorobutanoate
SpectraBase Compound ID 9ygW2mFWp7d
InChI InChI=1S/C24H12F14I3NO6/c1-46-16(43)13(42-17(44)19(25,26)21(29,30)23(33,34)35)6-8-4-11(40)15(12(41)5-8)47-9-2-3-14(10(39)7-9)48-18(45)20(27,28)22(31,32)24(36,37)38/h2-5,7,13H,6H2,1H3,(H,42,44)/t13-/m0/s1
InChIKey FSWFDBYACYFWMM-ZDUSSCGKSA-N
Mol Weight 1057.05 g/mol
Molecular Formula C24H12F14I3NO6
Exact Mass 1056.757516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dkJdBtTNXd
Name (S)-4-(4-(2-(2,2,3,3,4,4,4-heptafluorobutanamido)-3-methoxy-3-oxopropyl)-2,6-diiodophenoxy)-2-iodophenyl 2,2,3,3,4,4,4-heptafluorobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H12F14I3NO6
InChI InChI=1S/C24H12F14I3NO6/c1-46-16(43)13(42-17(44)19(25,26)21(29,30)23(33,34)35)6-8-4-11(40)15(12(41)5-8)47-9-2-3-14(10(39)7-9)48-18(45)20(27,28)22(31,32)24(36,37)38/h2-5,7,13H,6H2,1H3,(H,42,44)/t13-/m0/s1
InChIKey FSWFDBYACYFWMM-ZDUSSCGKSA-N
Instrument Name Hewlett-Packard 5890 Series II-Finnigan MAT Incos XL
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19991015)13_19_1924
Molecular Weight 1057.052 g/mol
SMILES N([C@@](Cc1cc(c(Oc2ccc(c(c2)I)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)c(c1)I)I)(C(=O)OC)[H])C(C(C(C(F)(F)F)(F)F)(F)F)=O
SPLASH splash10-014r-9842130110-fb141cbc4d3e5a8dee46
Source of Spectrum RCM-13-1926-Figure 1
Wiley ID 1838983