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4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl)-(2S)-pyrrolidin-2-methoxy benzaldehyde
SpectraBase Compound ID 7h0Um0IyNTQ
InChI InChI=1S/C33H39NO4/c1-23-24(2)32-30(25(3)31(23)37-20-27-9-6-5-7-10-27)16-17-33(4,38-32)22-34-18-8-11-28(34)21-36-29-14-12-26(19-35)13-15-29/h5-7,9-10,12-15,19,28H,8,11,16-18,20-22H2,1-4H3/t28-,33?/m0/s1
InChIKey VWXZJVPXUVZUIS-YCIOTGQKSA-N
Mol Weight 513.7 g/mol
Molecular Formula C33H39NO4
Exact Mass 513.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r582WUEhF6
Name 4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl)-(2S)-pyrrolidin-2-methoxy benzaldehyde
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]benzaldehyde 4-[[(2S)-1-[(6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl]pyrrolidin-2-yl]methoxy]benzaldehyde 4-[[(2S)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]pyrrolidin-2-yl]methoxy]benzaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C33H39NO4
InChI InChI=1S/C33H39NO4/c1-23-24(2)32-30(25(3)31(23)37-20-27-9-6-5-7-10-27)16-17-33(4,38-32)22-34-18-8-11-28(34)21-36-29-14-12-26(19-35)13-15-29/h5-7,9-10,12-15,19,28H,8,11,16-18,20-22H2,1-4H3/t28-,33?/m0/s1
InChIKey VWXZJVPXUVZUIS-YCIOTGQKSA-N
Molecular Weight 513.678 g/mol
SMILES c12c(c(C)c(c(c2C)C)OCc2ccccc2)CCC(O1)(CN1[C@](COc2ccc(C=O)cc2)(CCC1)[H])C
SPLASH splash10-014i-0090000000-d73e2de5fd03a29df58a
Source of Spectrum F2-42-3274-16
Wiley ID 1600268