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N-(alpha-Adamant-1-yl-4-methylbenzyl)-3,4-dimethoxyphenethylamine
SpectraBase Compound ID 697cawHEoJq
InChI InChI=1S/C28H37NO2/c1-19-4-7-24(8-5-19)27(28-16-21-12-22(17-28)14-23(13-21)18-28)29-11-10-20-6-9-25(30-2)26(15-20)31-3/h4-9,15,21-23,27,29H,10-14,16-18H2,1-3H3/t21-,22+,23-,27?,28-
InChIKey CTSARKHGOASRDP-PBVJJXRESA-N
Mol Weight 419.6 g/mol
Molecular Formula C28H37NO2
Exact Mass 419.282429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxMwlEElbcF
Name N-(alpha-Adamant-1-yl-4-methylbenzyl)-3,4-dimethoxyphenethylamine
Alternate Name(s) N-(((3r,5r,7r)-adamantan-1-yl)(p-tolyl)methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37NO2
InChI InChI=1S/C28H37NO2/c1-19-4-7-24(8-5-19)27(28-16-21-12-22(17-28)14-23(13-21)18-28)29-11-10-20-6-9-25(30-2)26(15-20)31-3/h4-9,15,21-23,27,29H,10-14,16-18H2,1-3H3/t21-,22+,23-,27?,28-
InChIKey CTSARKHGOASRDP-PBVJJXRESA-N
Literature Reference DOI 10.1002/prac.19863280103
Molecular Weight 419.609 g/mol
SMILES N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1ccc(cc1)C)CCc1cc(c(cc1)OC)OC
SPLASH splash10-017i-6490600000-2dd6819408888f6dab24
Source of Spectrum JF-328-18-2k
Wiley ID 1791436