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4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(3R)-piperidinoxy]benzaldehyde
SpectraBase Compound ID Dax9kKx5HtD
InChI InChI=1S/C33H39NO4/c1-23-24(2)32-30(25(3)31(23)36-21-27-9-6-5-7-10-27)16-17-33(4,38-32)22-34-18-8-11-29(19-34)37-28-14-12-26(20-35)13-15-28/h5-7,9-10,12-15,20,29H,8,11,16-19,21-22H2,1-4H3/t29-,33?/m1/s1
InChIKey BMOPSVPKLZYNJM-IIGOATNISA-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 3w5rooWQ7I6
Name 4-[N-[(2R/S)-6-Benzyloxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(3R)-piperidinoxy]benzaldehyde
Alternate Name(s) 4-[[(3R)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-3-piperidinyl]oxy]benzaldehyde 4-[[(3R)-1-[(6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl]-3-piperidyl]oxy]benzaldehyde 4-[(3R)-1-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]piperidin-3-yl]oxybenzaldehyde
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)36-21-27-9-6-5-7-10-27)16-17-33(4,38-32)22-34-18-8-11-29(19-34)37-28-14-12-26(20-35)13-15-28/h5-7,9-10,12-15,20,29H,8,11,16-19,21-22H2,1-4H3/t29-,33?/m1/s1
InChIKey BMOPSVPKLZYNJM-IIGOATNISA-N
Molecular Weight 513.678 g/mol
SMILES c12c(c(C)c(c(c2C)C)OCc2ccccc2)CCC(O1)(CN1C[C@](Oc2ccc(C=O)cc2)(CCC1)[H])C
SPLASH splash10-014i-0090000000-31604e309322c0d7bf0c
Source of Spectrum F2-42-3274-19
Wiley ID 1600267