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1-Adamantanecarboxamide, N-(3,5-dimethylbenzyl)-N-(2-ethylhexyl)-
SpectraBase Compound ID BUVmmk2FxBF
InChI InChI=1S/C28H43NO/c1-5-7-8-22(6-2)18-29(19-26-10-20(3)9-21(4)11-26)27(30)28-15-23-12-24(16-28)14-25(13-23)17-28/h9-11,22-25H,5-8,12-19H2,1-4H3/t22?,23-,24+,25-,28-
InChIKey BJXJIJPHTZEHAC-AAVXVNSXSA-N
Mol Weight 409.7 g/mol
Molecular Formula C28H43NO
Exact Mass 409.334465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2jfrUjLINh
Name 1-Adamantanecarboxamide, N-(3,5-dimethylbenzyl)-N-(2-ethylhexyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H43NO
InChI InChI=1S/C28H43NO/c1-5-7-8-22(6-2)18-29(19-26-10-20(3)9-21(4)11-26)27(30)28-15-23-12-24(16-28)14-25(13-23)17-28/h9-11,22-25H,5-8,12-19H2,1-4H3/t22?,23-,24+,25-,28-
InChIKey BJXJIJPHTZEHAC-AAVXVNSXSA-N
Molecular Weight 409.658 g/mol
SMILES C(N(Cc1cc(cc(c1)C)C)C(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(CCCC)CC
SPLASH splash10-000i-2920000000-72072d8083f6e3c24d1c
Source of Spectrum TIPS-2022-67-0
Wiley ID 1821584