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3-{4'-[4''-(N-Heptafluorobutyrylamino)-3",5"-dideuteriobenzyl]-2',6'-dideuteriophenyl}-5-isopropyl-1,3-imidazoline-2,4-dione

View entire compound with spectra: 1 MS (GC)

3-{4'-[4''-(N-Heptafluorobutyrylamino)-3",5"-dideuteriobenzyl]-2',6'-dideuteriophenyl}-5-isopropyl-1,3-imidazoline-2,4-dione
SpectraBase Compound ID d6iiV5NjCP
InChI InChI=1S/C23H20F7N3O3/c1-12(2)17-18(34)33(20(36)32-17)16-9-5-14(6-10-16)11-13-3-7-15(8-4-13)31-19(35)21(24,25)22(26,27)23(28,29)30/h3-10,12,17H,11H2,1-2H3,(H,31,35)(H,32,36)/i7D,8D,9D,10D
InChIKey LHVJDLBTTRSNIO-ULDPCNCHSA-N
Mol Weight 523.44 g/mol
Molecular Formula C23H162D4F7N3O3
Exact Mass 523.164396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tnC7LHo4gg
Name 3-{4'-[4''-(N-Heptafluorobutyrylamino)-3",5"-dideuteriobenzyl]-2',6'-dideuteriophenyl}-5-isopropyl-1,3-imidazoline-2,4-dione
Alternate Name(s) [2H4]-MDA-Val-Hyd HFBA Derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16D4F7N3O3
InChI InChI=1S/C23H20F7N3O3/c1-12(2)17-18(34)33(20(36)32-17)16-9-5-14(6-10-16)11-13-3-7-15(8-4-13)31-19(35)21(24,25)22(26,27)23(28,29)30/h3-10,12,17H,11H2,1-2H3,(H,31,35)(H,32,36)/i7D,8D,9D,10D
InChIKey LHVJDLBTTRSNIO-ULDPCNCHSA-N
Molecular Weight 523.444 g/mol
SMILES N1C(C(N(c2c(cc(Cc3cc(c(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)c(c3)[2D])[2D])cc2[2D])[2D])C1=O)=O)C(C)C
SPLASH splash10-001i-0904130000-7bf34e805c668c002b7c
Source of Spectrum CRT-13-85-B
Wiley ID 1709874