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S2620

View entire compound with spectra: 4 NMR, and 3 MS (GC)

S2620
SpectraBase Compound ID 7WTfT7VQ1Z5
InChI InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)
InChIKey OBDOVFRMEYHSQB-UHFFFAOYSA-N
Mol Weight 477.56 g/mol
Molecular Formula C26H29F2N7
Exact Mass 477.24525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1aUO15SzBb
Name ALMITRINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H29F2N7
InChI InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)
InChIKey OBDOVFRMEYHSQB-UHFFFAOYSA-N
Instrument Name GC
Molecular Weight 477.564 g/mol
SMILES N(CC=C)c1nc(NCC=C)nc(n1)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
SPLASH splash10-01b9-1190000000-6e7b32305ddb72df45c2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany