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N-[2-(1-adamantyl)-1-(4-methoxyphenyl)ethyl]-2-iodo-aniline
SpectraBase Compound ID 5gMdpnddOPA
InChI InChI=1S/C25H30INO/c1-28-21-8-6-20(7-9-21)24(27-23-5-3-2-4-22(23)26)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h2-9,17-19,24,27H,10-16H2,1H3/t17-,18+,19-,24?,25-
InChIKey DDMVFRGADNUUAH-JVJZBDDDSA-N
Mol Weight 487.43 g/mol
Molecular Formula C25H30INO
Exact Mass 487.13721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aaNr6pLcH8
Name N-[2-(1-adamantyl)-1-(4-methoxyphenyl)ethyl]-2-iodo-aniline
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Formula C25H30INO
InChI InChI=1S/C25H30INO/c1-28-21-8-6-20(7-9-21)24(27-23-5-3-2-4-22(23)26)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h2-9,17-19,24,27H,10-16H2,1H3/t17-,18+,19-,24?,25-
InChIKey DDMVFRGADNUUAH-JVJZBDDDSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 487.425 g/mol
Reported Formula C25H31INO
SMILES N(C(CC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])c1ccc(cc1)OC)c1ccccc1I
SPLASH splash10-000i-0903000000-7823cab11b9d9adc0fde
Source of Spectrum CN108707081A
Wiley ID 1872495