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N-heptafluorobutanoyl-1,3,4-trideuterio-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID KMJkkz0x1x
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/i5D,6D,7D
InChIKey ATDZARNXGLLMPI-CRSPMMAGSA-N
Mol Weight 332.24 g/mol
Molecular Formula C13H72D3F7NO
Exact Mass 332.083891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ToX4wJirPd
Name N-heptafluorobutanoyl-1,3,4-trideuterio-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7D3F7NO
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/i5D,6D,7D
InChIKey ATDZARNXGLLMPI-CRSPMMAGSA-N
Molecular Weight 332.236 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(N1C(c2ccccc2C(C1[2D])[2D])[2D])=O)(F)F
SPLASH splash10-0fb9-2935000000-fe96b4ea674d4ab172c4
Source of Spectrum JC-452-89-2
Wiley ID 1326932