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N-(alpha-Adamant-1-ylbenzyl)-3,4-dimethoxyphenethylamine
SpectraBase Compound ID KWKGCkorsfT
InChI InChI=1S/C27H35NO2/c1-29-24-9-8-19(15-25(24)30-2)10-11-28-26(23-6-4-3-5-7-23)27-16-20-12-21(17-27)14-22(13-20)18-27/h3-9,15,20-22,26,28H,10-14,16-18H2,1-2H3/t20-,21+,22-,26?,27-
InChIKey SIIQRGGNTYHXPF-GFUVKEGOSA-N
Mol Weight 405.6 g/mol
Molecular Formula C27H35NO2
Exact Mass 405.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18bv7y1WnA
Name N-(alpha-Adamant-1-ylbenzyl)-3,4-dimethoxyphenethylamine
Alternate Name(s) N-(((3r,5r,7r)-adamantan-1-yl)(phenyl)methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO2
InChI InChI=1S/C27H35NO2/c1-29-24-9-8-19(15-25(24)30-2)10-11-28-26(23-6-4-3-5-7-23)27-16-20-12-21(17-27)14-22(13-20)18-27/h3-9,15,20-22,26,28H,10-14,16-18H2,1-2H3/t20-,21+,22-,26?,27-
InChIKey SIIQRGGNTYHXPF-GFUVKEGOSA-N
Literature Reference DOI 10.1002/prac.19863280103
Molecular Weight 405.582 g/mol
SMILES N(CCc1ccc(c(c1)OC)OC)C(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])c1ccccc1
SPLASH splash10-0a4i-1900000000-9bd701a6ed987188bf4d
Source of Spectrum JF-328-18-2i
Wiley ID 1791434