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2-[N-(adamantan-1-ylmethyl)-1-(3,4,5-trimethoxyphenyl)formamido]ethyl 3,4,5-trimethoxybenzoate
SpectraBase Compound ID EfXrms9uMxB
InChI InChI=1S/C33H43NO9/c1-37-25-12-23(13-26(38-2)29(25)41-5)31(35)34(19-33-16-20-9-21(17-33)11-22(10-20)18-33)7-8-43-32(36)24-14-27(39-3)30(42-6)28(15-24)40-4/h12-15,20-22H,7-11,16-19H2,1-6H3/t20-,21+,22-,33-
InChIKey GACAUXAMSXZABR-YFFNMRTGSA-N
Mol Weight 597.7 g/mol
Molecular Formula C33H43NO9
Exact Mass 597.293782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aEjmb1to2h
Name 2-[N-(adamantan-1-ylmethyl)-1-(3,4,5-trimethoxyphenyl)formamido]ethyl 3,4,5-trimethoxybenzoate
Alternate Name(s) Benzoic acid, 3,4,5-trimethoxy-, 2-[(tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl)(3,4,5-trimethoxybenzoyl)amino]ethyl ester 3,4,5-trimethoxybenzoic acid 2-[1-adamantylmethyl-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl ester 2-[1-adamantylmethyl-(3,4,5-trimethoxybenzoyl)amino]ethyl 3,4,5-trimethoxybenzoate 2-[1-adamantylmethyl-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl 3,4,5-trimethoxybenzoate
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Formula C33H43NO9
InChI InChI=1S/C33H43NO9/c1-37-25-12-23(13-26(38-2)29(25)41-5)31(35)34(19-33-16-20-9-21(17-33)11-22(10-20)18-33)7-8-43-32(36)24-14-27(39-3)30(42-6)28(15-24)40-4/h12-15,20-22H,7-11,16-19H2,1-6H3/t20-,21+,22-,33-
InChIKey GACAUXAMSXZABR-YFFNMRTGSA-N
Molecular Weight 597.705 g/mol
SMILES C1[C@]2(CC3(C[C@](C2)(C[C@]1(C3)[H])[H])CN(C(=O)c1cc(OC)c(OC)c(OC)c1)CCOC(=O)c1cc(c(c(c1)OC)OC)OC)[H]
SPLASH splash10-0002-1901000000-3886f63f184eabf295ea
Source of Spectrum IY-2-5035-0
Wiley ID 1658333