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2-[(E)-3-(Adamantan-2-yl)hept-1-en-1-yl]-1-methyl-1H-benzo[d]imidazole
SpectraBase Compound ID 23HtEkHCyiH
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/h5-6,8-11,18-21H,3-4,7,12-17H2,1-2H3/b11-10+/t18-,19+,20-,21?,25-
InChIKey BBSVPNNODXSEMD-FPNYVFRSSA-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 KXwmyR8Jup6
Name 2-[(E)-3-(Adamantan-2-yl)hept-1-en-1-yl]-1-methyl-1H-benzo[d]imidazole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h5-6,8-11,18-21H,3-4,7,12-17H2,1-2H3/b11-10+/t18-,19+,20-,21?,25-
InChIKey BBSVPNNODXSEMD-FPNYVFRSSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709087
Molecular Weight 362.561 g/mol
Quality 81
Reported Formula C25H34N2
SMILES C(CCCC)(\C=C\C1=NC2=C(N1C)C=CC=C2)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000l-1955000000-fd7fbc677726ebb3c360
Source of Spectrum ACI-56-SM29-4ae (DOI: 10.1002/anie.201709087)
Wiley ID 1896621