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N-heptafluorobutanoyl-1,3,4,4-tetradeuterio-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID HoK6cfilh8o
InChI InChI=1S/C13H10F7NO/c14-11(15,12(16,17)13(18,19)20)10(22)21-6-5-8-3-1-2-4-9(8)7-21/h1-4H,5-7H2/i5D2,6D,7D
InChIKey ATDZARNXGLLMPI-ZZSMQHRLSA-N
Mol Weight 333.24 g/mol
Molecular Formula C13H62D4F7NO
Exact Mass 333.090168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9giyX1VryeN
Name N-heptafluorobutanoyl-1,3,4,4-tetradeuterio-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6D4F7NO
InChI InChI=1S/C13H10F7NO/c14-11(15,12(16,17)13(18,19)20)10(22)21-6-5-8-3-1-2-4-9(8)7-21/h1-4H,5-7H2/i5D2,6D,7D
InChIKey ATDZARNXGLLMPI-ZZSMQHRLSA-N
Molecular Weight 333.242 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(N1C(c2ccccc2C(C1[2D])([2D])[2D])[2D])=O)(F)F
SPLASH splash10-06si-2934000000-8f769a19f985cd281b5e
Source of Spectrum JC-452-89-2
Wiley ID 1326933