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3,4-difluoro-N-desmethyl U-47700
SpectraBase Compound ID DP00e62o95C
InChI InChI=1S/C15H20F2N2O/c1-18-13-5-3-4-6-14(13)19(2)15(20)10-7-8-11(16)12(17)9-10/h7-9,13-14,18H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKey CDUSBHPNIYKEBX-ZIAGYGMSSA-N
Mol Weight 282.33 g/mol
Molecular Formula C15H20F2N2O
Exact Mass 282.15437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4cl0sJMcb
Name 3,4-difluoro-N-desmethyl U-47700
Catalog Number 29560
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20F2N2O
InChI InChI=1S/C15H20F2N2O/c1-18-13-5-3-4-6-14(13)19(2)15(20)10-7-8-11(16)12(17)9-10/h7-9,13-14,18H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKey CDUSBHPNIYKEBX-ZIAGYGMSSA-N
Molecular Weight 282.335 g/mol
SMILES N([C@@]1(CCCC[C@]1(N(C(c1ccc(c(F)c1)F)=O)C)[H])[H])C
SPLASH splash10-03di-7900000000-1998e567b0c6de9ae720
Source of Spectrum CAY-2023-305-0
Wiley ID 1888271