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2-((E)-3-(1-Adamantan-2-yl)hept-2-en-1-yl)-1-methyl-1H-benzo[d]imidazole
SpectraBase Compound ID 3CVNusX76nB
InChI InChI=1S/C25H34N2/c1-3-4-7-21(25-15-18-12-19(16-25)14-20(13-18)17-25)10-11-24-26-22-8-5-6-9-23(22)27(24)2/h5-6,8-10,18-20H,3-4,7,11-17H2,1-2H3/b21-10+/t18-,19+,20-,25-
InChIKey LTFYEYMYRYIGAV-VAVLYBOHSA-N
Mol Weight 362.6 g/mol
Molecular Formula C25H34N2
Exact Mass 362.272199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63ob2sVds4K
Name 2-((E)-3-(1-Adamantan-2-yl)hept-2-en-1-yl)-1-methyl-1H-benzo[d]imidazole
Appearance White solid
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Exact Mass 362.272199103 u
Formula C25H34N2
InChI InChI=1S/C25H34N2/c1-3-4-7-21(25-15-18-12-19(16-25)14-20(13-18)17-25)10-11-24-26-22-8-5-6-9-23(22)27(24)2/h5-6,8-10,18-20H,3-4,7,11-17H2,1-2H3/b21-10+/t18-,19+,20-,25-
InChIKey LTFYEYMYRYIGAV-VAVLYBOHSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709087
Molecular Weight 362.561 g/mol
Quality 37
Reported Formula C25H34N2
SMILES C(\C=C/(CCCC)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C=1N(C2=C(N1)C=CC=C2)C
SPLASH splash10-004i-0697000000-a62e752ed07de9409aa6
Source of Spectrum ACI-56-SM18-3ae (DOI: 10.1002/anie.201709087)
Wiley ID 1896612