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2-[1-adamantylmethyl-(4-methylphenyl)carbonyl-amino]ethyl 4-methylbenzoate
SpectraBase Compound ID ARHn3DjPSE1
InChI InChI=1S/C29H35NO3/c1-20-3-7-25(8-4-20)27(31)30(11-12-33-28(32)26-9-5-21(2)6-10-26)19-29-16-22-13-23(17-29)15-24(14-22)18-29/h3-10,22-24H,11-19H2,1-2H3/t22-,23+,24-,29-
InChIKey MIDZZLUKJRTWIJ-NPRVLBGXSA-N
Mol Weight 445.6 g/mol
Molecular Formula C29H35NO3
Exact Mass 445.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItBEjTOHkDq
Name 2-[1-adamantylmethyl-(4-methylphenyl)carbonyl-amino]ethyl 4-methylbenzoate
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Formula C29H35NO3
InChI InChI=1S/C29H35NO3/c1-20-3-7-25(8-4-20)27(31)30(11-12-33-28(32)26-9-5-21(2)6-10-26)19-29-16-22-13-23(17-29)15-24(14-22)18-29/h3-10,22-24H,11-19H2,1-2H3/t22-,23+,24-,29-
InChIKey MIDZZLUKJRTWIJ-NPRVLBGXSA-N
Molecular Weight 445.603 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)CN(C(=O)c1ccc(cc1)C)CCOC(c1ccc(cc1)C)=O)[H])[H])[H]
SPLASH splash10-014i-3913000000-bdb0677b3c0226153faf
Synonyms 4-Methylbenzoic acid 2-[1-adamantylmethyl(p-toluoyl)amino]ethyl ester 4-Methylbenzoic acid 2-[1-adamantylmethyl-[(4-methylphenyl)-oxomethyl]amino]ethyl ester
Wiley ID 1512632