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4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-pyrrolidin2-methoxy]aniline
SpectraBase Compound ID 5C1aJX5R4cs
InChI InChI=1S/C32H40N2O3/c1-22-23(2)31-29(24(3)30(22)36-19-25-9-6-5-7-10-25)16-17-32(4,37-31)21-34-18-8-11-27(34)20-35-28-14-12-26(33)13-15-28/h5-7,9-10,12-15,27H,8,11,16-21,33H2,1-4H3/t27-,32?/m0/s1
InChIKey QCAUOPFTIRBUHA-BSXJZHEVSA-N
Mol Weight 500.7 g/mol
Molecular Formula C32H40N2O3
Exact Mass 500.303893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BneZzaglE2
Name 4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-pyrrolidin2-methoxy]aniline
Alternate Name(s) 4-[[(2S)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-2-pyrrolidinyl]methoxy]aniline 4-[[(2S)-1-[(6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl]pyrrolidin-2-yl]methoxy]aniline 4-[[(2S)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]pyrrolidin-2-yl]methoxy]aniline
Comments Less than 3 mono-isotopic peaks
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Formula C32H40N2O3
InChI InChI=1S/C32H40N2O3/c1-22-23(2)31-29(24(3)30(22)36-19-25-9-6-5-7-10-25)16-17-32(4,37-31)21-34-18-8-11-27(34)20-35-28-14-12-26(33)13-15-28/h5-7,9-10,12-15,27H,8,11,16-21,33H2,1-4H3/t27-,32?/m0/s1
InChIKey QCAUOPFTIRBUHA-BSXJZHEVSA-N
Molecular Weight 500.683 g/mol
SMILES Nc1ccc(OC[C@]2(N(CC3(Oc4c(c(C)c(c(c4C)C)OCc4ccccc4)CC3)C)CCC2)[H])cc1
SPLASH splash10-0a4i-0090000000-f7ecc9a33e9f42ec53a1
Source of Spectrum F2-42-3276-18
Wiley ID 1600265