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1-Adamantanecarboxamide, N-(3,5-dimethylbenzyl)-N-undecyl-
SpectraBase Compound ID FkdFdYUZTmE
InChI InChI=1S/C31H49NO/c1-4-5-6-7-8-9-10-11-12-13-32(23-29-15-24(2)14-25(3)16-29)30(33)31-20-26-17-27(21-31)19-28(18-26)22-31/h14-16,26-28H,4-13,17-23H2,1-3H3/t26-,27+,28-,31-
InChIKey BWBOJOFHRQGUEE-OFLVLBFUSA-N
Mol Weight 451.7 g/mol
Molecular Formula C31H49NO
Exact Mass 451.381415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWUy5JYK4yB
Name 1-Adamantanecarboxamide, N-(3,5-dimethylbenzyl)-N-undecyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49NO
InChI InChI=1S/C31H49NO/c1-4-5-6-7-8-9-10-11-12-13-32(23-29-15-24(2)14-25(3)16-29)30(33)31-20-26-17-27(21-31)19-28(18-26)22-31/h14-16,26-28H,4-13,17-23H2,1-3H3/t26-,27+,28-,31-
InChIKey BWBOJOFHRQGUEE-OFLVLBFUSA-N
Molecular Weight 451.739 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])CCCCCCCCCC
SPLASH splash10-000i-3921100000-8df87e3b18df959b7653
Source of Spectrum TIPS-2022-70-0
Wiley ID 1821587