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N,N'-diacetylalmitrine
SpectraBase Compound ID 3myL52AyqB5
InChI InChI=1S/C30H33F2N7O2/c1-5-15-38(21(3)40)29-33-28(34-30(35-29)39(16-6-2)22(4)41)37-19-17-36(18-20-37)27(23-7-11-25(31)12-8-23)24-9-13-26(32)14-10-24/h5-14,27H,1-2,15-20H2,3-4H3
InChIKey GFVNODZYYBCMAC-UHFFFAOYSA-N
Mol Weight 561.6 g/mol
Molecular Formula C30H33F2N7O2
Exact Mass 561.26638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DuBBnxJJtt
Name N,N'-diacetylalmitrine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33F2N7O2
InChI InChI=1S/C30H33F2N7O2/c1-5-15-38(21(3)40)29-33-28(34-30(35-29)39(16-6-2)22(4)41)37-19-17-36(18-20-37)27(23-7-11-25(31)12-8-23)24-9-13-26(32)14-10-24/h5-14,27H,1-2,15-20H2,3-4H3
InChIKey GFVNODZYYBCMAC-UHFFFAOYSA-N
Molecular Weight 561.638 g/mol
SMILES c1(nc(N(C(=O)C)CC=C)nc(n1)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)N(C(=O)C)CC=C
SPLASH splash10-00xr-0090000000-146533e22ac260104dd4
Source of Spectrum CJ-0-16-0
Synonyms N-(4-[acetyl(allyl)amino]-6-{4-[bis(4-fluorophenyl)methyl]-1-piperazinyl}-1,3,5-triazin-2-yl)-N-allylacetamide
Wiley ID 1406835