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4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(3R)-piperidinoxy]benzaldehyde
SpectraBase Compound ID 3hEADTdjVPO
InChI InChI=1S/C33H39NO4/c1-22-23(2)32-30(24(3)31(22)37-20-26-10-7-6-8-11-26)29(33(4,5)38-32)18-34-17-9-12-27(34)21-36-28-15-13-25(19-35)14-16-28/h6-8,10-11,13-16,19,27,29H,9,12,17-18,20-21H2,1-5H3/t27-,29?/m0/s1
InChIKey DFZJDWNJLOMRQE-BVOOQYFDSA-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 4nLTDYaRHQx
Name 4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(3R)-piperidinoxy]benzaldehyde
Alternate Name(s) 4-[[(2S)-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-benzofuran-3-yl)methyl]-2-pyrrolidinyl]methoxy]benzaldehyde 4-[[(2S)-1-[(5-benzyloxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]benzaldehyde 4-[[(2S)-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl)methyl]pyrrolidin-2-yl]methoxy]benzaldehyde
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Formula C33H39NO4
InChI InChI=1S/C33H39NO4/c1-22-23(2)32-30(24(3)31(22)37-20-26-10-7-6-8-11-26)29(33(4,5)38-32)18-34-17-9-12-27(34)21-36-28-15-13-25(19-35)14-16-28/h6-8,10-11,13-16,19,27,29H,9,12,17-18,20-21H2,1-5H3/t27-,29?/m0/s1
InChIKey DFZJDWNJLOMRQE-BVOOQYFDSA-N
Molecular Weight 513.678 g/mol
SMILES c12C(C(C)(C)Oc2c(C)c(c(c1C)OCc1ccccc1)C)CN1[C@](COc2ccc(C=O)cc2)(CCC1)[H]
SPLASH splash10-014i-4090000000-4ef383d4540b03febfc2
Source of Spectrum F2-42-1936-18
Wiley ID 1600111