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(1R,3R,8aS)-1-methyl-3-phenyl-7-(phenylmethyl)-5-sulfanylidene-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-8-one
SpectraBase Compound ID Ip6uAiMkTei
InChI InChI=1S/C20H20N2O2S/c1-14-18-19(23)21(12-15-8-4-2-5-9-15)13-17(25)22(18)20(24-14)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+,20-/m1/s1
InChIKey AEVXECFQHVFYPC-HEFCMCLBSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H20N2O2S
Exact Mass 352.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xdk4YYb4Ar
Name (1R,3R,8aS)-1-methyl-3-phenyl-7-(phenylmethyl)-5-sulfanylidene-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-8-one
Alternate Name(s) (1R,3R,8aS)-1-methyl-3-phenyl-7-(phenylmethyl)-5-sulfanylidene-1,3,6,8a-tetrahydrooxazolo[3,4-a]pyrazin-8-one (1R,3R,8aS)-7-benzyl-1-methyl-3-phenyl-5-sulfanylidene-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-8-one (1R,3R,8aS)-7-benzyl-1-methyl-3-phenyl-5-thioxo-1,3,6,8a-tetrahydrooxazolo[3,4-a]pyrazin-8-one
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Formula C20H20N2O2S
InChI InChI=1S/C20H20N2O2S/c1-14-18-19(23)21(12-15-8-4-2-5-9-15)13-17(25)22(18)20(24-14)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+,20-/m1/s1
InChIKey AEVXECFQHVFYPC-HEFCMCLBSA-N
Molecular Weight 352.452 g/mol
SMILES [C@]12(C(N(CC(N2[C@](O[C@@]1(C)[H])(c1ccccc1)[H])=S)Cc1ccccc1)=O)[H]
SPLASH splash10-0k96-8609000000-72d6dec9289192bbba20
Source of Spectrum KC-57-4362-7
Wiley ID 1624114