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(3S)-3-Benzyloxymethyl-3,4-dihydro-6-methyl-5-p-tolylsulfinyl-2H-pyran
SpectraBase Compound ID JiZpV7BEZJk
InChI InChI=1S/C21H24O3S/c1-16-8-10-20(11-9-16)25(22)21-12-19(15-24-17(21)2)14-23-13-18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3/t19-,25?/m0/s1
InChIKey NHVSDNVXXKOOLB-UBDBMELISA-N
Mol Weight 356.48 g/mol
Molecular Formula C21H24O3S
Exact Mass 356.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdlLu6ryGdr
Name (3S)-3-Benzyloxymethyl-3,4-dihydro-6-methyl-5-p-tolylsulfinyl-2H-pyran
Alternate Name(s) (3S)-3-[(benzyloxy)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-yl 4-methylphenyl sulfoxide (3S)-3-[(benzyloxy)methyl]-6-methyl-5-[(4-methylphenyl)sulfinyl]-3,4-dihydro-2H-pyran
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O3S
InChI InChI=1S/C21H24O3S/c1-16-8-10-20(11-9-16)25(22)21-12-19(15-24-17(21)2)14-23-13-18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3/t19-,25?/m0/s1
InChIKey NHVSDNVXXKOOLB-UBDBMELISA-N
Molecular Weight 356.480 g/mol
SMILES C1[C@@](CC(=C(O1)C)S(=O)c1ccc(cc1)C)(COCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-dc44b78246c22e5d5f26
Source of Spectrum E1-41-343-17
Wiley ID 1551874