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endo-(2.beta.,4.beta.)-4-Acetoxy-2-ethoxy-6-(4-nitrophenoxymethyl)-5-phenylthio-2H-3,4-dihydropyran
SpectraBase Compound ID IavZ81SPJf
InChI InChI=1S/C22H23NO7S/c1-3-27-21-13-19(29-15(2)24)22(31-18-7-5-4-6-8-18)20(30-21)14-28-17-11-9-16(10-12-17)23(25)26/h4-12,19,21H,3,13-14H2,1-2H3/t19-,21-/m1/s1
InChIKey IXMMLZHHZXIZTK-TZIWHRDSSA-N
Mol Weight 445.49 g/mol
Molecular Formula C22H23NO7S
Exact Mass 445.119523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SG3pErWYeW
Name endo-(2.beta.,4.beta.)-4-Acetoxy-2-ethoxy-6-(4-nitrophenoxymethyl)-5-phenylthio-2H-3,4-dihydropyran
Comments Less than 3 mono-isotopic peaks
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Formula C22H23NO7S
InChI InChI=1S/C22H23NO7S/c1-3-27-21-13-19(29-15(2)24)22(31-18-7-5-4-6-8-18)20(30-21)14-28-17-11-9-16(10-12-17)23(25)26/h4-12,19,21H,3,13-14H2,1-2H3/t19-,21-/m1/s1
InChIKey IXMMLZHHZXIZTK-TZIWHRDSSA-N
Molecular Weight 445.486 g/mol
SMILES C1(=C(O[C@](C[C@]1(OC(=O)C)[H])(OCC)[H])COc1ccc(N(=O)=O)cc1)Sc1ccccc1
SPLASH splash10-0002-0003900000-1afc8750f8b4be1e91ab
Source of Spectrum SO-0-903-5
Synonyms (2R,4R)-2-ethoxy-6-[(4-nitrophenoxy)methyl]-5-(phenylsulfanyl)-3,4-dihydro-2H-pyran-4-yl acetate acetic acid[(2R,4R)-2-ethoxy-6-[(4-nitrophenoxy)methyl]-5-(phenylthio)-3,4-dihydro-2H-pyran-4-yl]ester endo-(2.beta.,4.alpha.)-4-Acetoxy-2-ethoxy-6-(4-nitrophenoxymethyl)-5-phenylthio-2H-3,4-dihydropyran [(2R,4R)-2-ethoxy-6-[(4-nitrophenoxy)methyl]-5-phenylsulfanyl-3,4-dihydro-2H-pyran-4-yl]ethanoate [(2R,4R)-2-ethoxy-6-[(4-nitrophenoxy)methyl]-5-phenylsulfanyl-3,4-dihydro-2H-pyran-4-yl] acetate [(2R,4R)-2-ethoxy-6-[(4-nitrophenoxy)methyl]-5-phenylsulfanyl-3,4-dihydro-2H-pyran-4-yl] ethanoate
Wiley ID 1539634