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(2S,5R,Rs)-2-Allyl-5-(p-nitrobenzoyloxymethyl)-2-(p-toluenesulfinylmethyl)tetrahydropyran
SpectraBase Compound ID KogASTxQfFg
InChI InChI=1S/C24H27NO6S/c1-3-13-24(17-32(29)22-10-4-18(2)5-11-22)14-12-19(16-31-24)15-30-23(26)20-6-8-21(9-7-20)25(27)28/h3-11,19H,1,12-17H2,2H3/t19-,24+,32?/m0/s1
InChIKey DUFISIMUIXJLJF-VZDKHYDVSA-N
Mol Weight 457.54 g/mol
Molecular Formula C24H27NO6S
Exact Mass 457.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENO1nYjviVo
Name (2S,5R,Rs)-2-Allyl-5-(p-nitrobenzoyloxymethyl)-2-(p-toluenesulfinylmethyl)tetrahydropyran
Comments Less than 3 mono-isotopic peaks
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Formula C24H27NO6S
InChI InChI=1S/C24H27NO6S/c1-3-13-24(17-32(29)22-10-4-18(2)5-11-22)14-12-19(16-31-24)15-30-23(26)20-6-8-21(9-7-20)25(27)28/h3-11,19H,1,12-17H2,2H3/t19-,24+,32?/m0/s1
InChIKey DUFISIMUIXJLJF-VZDKHYDVSA-N
Molecular Weight 457.541 g/mol
SMILES c1(N(=O)=O)ccc(C(OC[C@]2(CO[C@@](CS(c3ccc(cc3)C)=O)(CC2)CC=C)[H])=O)cc1
SPLASH splash10-000i-0900000000-8ade1aa01f7540166433
Source of Spectrum F-54-13094-3
Synonyms ((3R,6S)-6-allyl-6-{[(4-methylphenyl)sulfinyl]methyl}tetrahydro-2H-pyran-3-yl)methyl 4-nitrobenzoate
Wiley ID 809441