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Allyl 5-Iodo-1-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1H-[1,2,3]triazole-4-carboxamide
SpectraBase Compound ID 2M7BPBjlWC4
InChI InChI=1S/C13H8F13IN4O/c1-2-3-28-7(32)5-6(27)31(30-29-5)4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2H,1,3-4H2,(H,28,32)
InChIKey QMWKQUFGVKWGOH-UHFFFAOYSA-N
Mol Weight 610.12 g/mol
Molecular Formula C13H8F13IN4O
Exact Mass 609.953522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BABiW7efYzv
Name Allyl 5-Iodo-1-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1H-[1,2,3]triazole-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F13IN4O
InChI InChI=1S/C13H8F13IN4O/c1-2-3-28-7(32)5-6(27)31(30-29-5)4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2H,1,3-4H2,(H,28,32)
InChIKey QMWKQUFGVKWGOH-UHFFFAOYSA-N
Molecular Weight 610.118 g/mol
SMILES N(C(c1c([n](CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)nn1)I)=O)CC=C
SPLASH splash10-0pc0-9000800000-f3eed20280870151ea39
Source of Spectrum CV-2005-1317-3
Synonyms N-allyl-5-iodo-1-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1H-1,2,3-triazole-4-carboxamide
Wiley ID 1611711