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(R)-5-(Benzyloxymethyl)-3-(3-benzylthio-2-methoxypropoxy)-2-methylpyridine-4-carbaldehyde

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(R)-5-(Benzyloxymethyl)-3-(3-benzylthio-2-methoxypropoxy)-2-methylpyridine-4-carbaldehyde
SpectraBase Compound ID 3qGTKMIFVxQ
InChI InChI=1S/C26H29NO4S/c1-20-26(31-17-24(29-2)19-32-18-22-11-7-4-8-12-22)25(14-28)23(13-27-20)16-30-15-21-9-5-3-6-10-21/h3-14,24H,15-19H2,1-2H3/t24-/m1/s1
InChIKey HMVGXNVBHJPAND-XMMPIXPASA-N
Mol Weight 451.58 g/mol
Molecular Formula C26H29NO4S
Exact Mass 451.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRIINOVtLhe
Name (R)-5-(Benzyloxymethyl)-3-(3-benzylthio-2-methoxypropoxy)-2-methylpyridine-4-carbaldehyde
Alternate Name(s) (R)-5-(Benzyloxymethyl)-3-(3-benzylothio-2-methoxypropoxy)-2-methylpyridine-4-carbaldehyde 5-[(benzyloxy)methyl]-3-{[(2R)-3-(benzylsulfanyl)-2-methoxypropyl]oxy}-2-methylisonicotinaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C26H29NO4S
InChI InChI=1S/C26H29NO4S/c1-20-26(31-17-24(29-2)19-32-18-22-11-7-4-8-12-22)25(14-28)23(13-27-20)16-30-15-21-9-5-3-6-10-21/h3-14,24H,15-19H2,1-2H3/t24-/m1/s1
InChIKey HMVGXNVBHJPAND-XMMPIXPASA-N
Molecular Weight 451.581 g/mol
SMILES c1(c(OC[C@@](OC)(CSCc2ccccc2)[H])c(C)ncc1COCc1ccccc1)C=O
SPLASH splash10-0006-9000000000-a23f9eff43ed8b63178f
Source of Spectrum F-55-12120-10
Wiley ID 839521