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3-Adamantymethyl-5-(4-methoxyphenyl)pyrazinamine

View entire compound with spectra: 1 MS (GC)

3-Adamantymethyl-5-(4-methoxyphenyl)pyrazinamine
SpectraBase Compound ID DSllWyklxQy
InChI InChI=1S/C22H27N3O/c1-26-18-4-2-17(3-5-18)20-13-24-21(23)19(25-20)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H2,23,24)/t14-,15+,16-,22-
InChIKey JGDTYHXSKIUZOX-OFWUGVANSA-N
Mol Weight 349.48 g/mol
Molecular Formula C22H27N3O
Exact Mass 349.215413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkOrj2JKmKK
Name 3-Adamantymethyl-5-(4-methoxyphenyl)pyrazinamine
Alternate Name(s) 3-(1-adamantylmethyl)-5-(4-methoxyphenyl)-2-pyrazinamine 3-(1-adamantylmethyl)-5-(4-methoxyphenyl)-2-pyrazinylamine 3-Adamantymethyl-5-(4-methoxyphenyl)pyrazin-2yl-amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3O
InChI InChI=1S/C22H27N3O/c1-26-18-4-2-17(3-5-18)20-13-24-21(23)19(25-20)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H2,23,24)/t14-,15+,16-,22-
InChIKey JGDTYHXSKIUZOX-OFWUGVANSA-N
Molecular Weight 349.478 g/mol
SMILES Nc1c(nc(cn1)-c1ccc(cc1)OC)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000b-0309000000-b5a92ebfdea826db370f
Source of Spectrum F-53-12913-14
Wiley ID 803790