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5-[2-[(4R,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]ethylthio]-1-phenyl-tetrazole
SpectraBase Compound ID 5Yo131akX3U
InChI InChI=1S/C23H28N4O2S/c1-23(2)28-20(14-13-18-9-5-3-6-10-18)17-21(29-23)15-16-30-22-24-25-26-27(22)19-11-7-4-8-12-19/h3-12,20-21H,13-17H2,1-2H3/t20-,21-/m0/s1
InChIKey QGNXWEXHYZCLGR-SFTDATJTSA-N
Mol Weight 424.56 g/mol
Molecular Formula C23H28N4O2S
Exact Mass 424.193297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IMIqJQqWff
Name 5-[2-[(4R,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]ethylthio]-1-phenyl-tetrazole
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Formula C23H28N4O2S
InChI InChI=1S/C23H28N4O2S/c1-23(2)28-20(14-13-18-9-5-3-6-10-18)17-21(29-23)15-16-30-22-24-25-26-27(22)19-11-7-4-8-12-19/h3-12,20-21H,13-17H2,1-2H3/t20-,21-/m0/s1
InChIKey QGNXWEXHYZCLGR-SFTDATJTSA-N
Molecular Weight 424.563 g/mol
SMILES c1([n](nnn1)-c1ccccc1)SCC[C@@]1(OC(C)(C)O[C@](C1)(CCc1ccccc1)[H])[H]
SPLASH splash10-00mo-9710100000-e65221d468ae4772a3c5
Source of Spectrum CV-2004-1492-19
Synonyms 5-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]ethylthio]-1-phenyltetrazole 5-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]ethylsulfanyl]-1-phenyltetrazole 5-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]ethylsulfanyl]-1-phenyl-tetrazole
Wiley ID 1611469