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5-{[N-(1'-Adamantyl)carbamoyl]methyl}phenanthridinium bromide
SpectraBase Compound ID 1I9DAElMeue
InChI InChI=1S/C25H26N2O.BrH/c28-24(26-25-12-17-9-18(13-25)11-19(10-17)14-25)16-27-15-20-5-1-2-6-21(20)22-7-3-4-8-23(22)27;/h1-8,15,17-19H,9-14,16H2;1H/t17-,18+,19-,25-;
InChIKey OFENCKGOEDNWBO-KVHMWHMZSA-N
Mol Weight 451.41 g/mol
Molecular Formula C25H27BrN2O
Exact Mass 450.130676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26TgokQw53x
Name 5-{[N-(1'-Adamantyl)carbamoyl]methyl}phenanthridinium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27BrN2O
InChI InChI=1S/C25H26N2O.BrH/c28-24(26-25-12-17-9-18(13-25)11-19(10-17)14-25)16-27-15-20-5-1-2-6-21(20)22-7-3-4-8-23(22)27;/h1-8,15,17-19H,9-14,16H2;1H/t17-,18+,19-,25-;
InChIKey OFENCKGOEDNWBO-KVHMWHMZSA-N
Molecular Weight 451.408 g/mol
SMILES [Br-].N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C[n+]1c2c(cccc2)c2c(c1)cccc2)=O
SPLASH splash10-002f-1900000000-24f8a4cc227d59eb4603
Source of Spectrum G-64-2000-2c
Wiley ID 749557