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3-Bromomethyl-2,5-dihydro-2,2,5,5-tetramethyl-4-(N-methyldansylamidomethyl)-1H-pyrrol-1-yloxyl radical
SpectraBase Compound ID F7RAJDbPy9U
InChI InChI=1S/C23H31BrN3O3S/c1-22(2)18(14-24)19(23(3,4)27(22)28)15-26(7)31(29,30)21-13-9-10-16-17(21)11-8-12-20(16)25(5)6/h8-13H,14-15H2,1-7H3
InChIKey HEHBLVNIXPMPLG-UHFFFAOYSA-N
Mol Weight 510.5 g/mol
Molecular Formula C23H32BrN3O3S
Exact Mass 509.134776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cGq6bGvKLO
Name 3-Bromomethyl-2,5-dihydro-2,2,5,5-tetramethyl-4-(N-methyldansylamidomethyl)-1H-pyrrol-1-yloxyl radical
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31BrN3O3S
InChI InChI=1S/C23H31BrN3O3S/c1-22(2)18(14-24)19(23(3,4)27(22)28)15-26(7)31(29,30)21-13-9-10-16-17(21)11-8-12-20(16)25(5)6/h8-13H,14-15H2,1-7H3
InChIKey HEHBLVNIXPMPLG-UHFFFAOYSA-N
Molecular Weight 510.491 g/mol
SMILES ON1C(C(CN(S(c2c3c(c(N(C)C)ccc3)ccc2)(=O)=O)C)=C(C1(C)C)CBr)(C)C
SPLASH splash10-0229-0960000000-5837c2f198bc83de2afc
Source of Spectrum SO-0-977-26
Wiley ID 876762