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Methyl (3S,4S,4'S)-(+)-3-[N-benzyloxycarbonylamino]-4-(2',2'-dimethyl-1',3'-dioxalane-4'-yl)-1-pyrazoline-3-carboxylate
SpectraBase Compound ID pxSxBuf9pW
InChI InChI=1S/C18H23N3O6/c1-17(2)26-11-14(27-17)13-9-19-21-18(13,15(22)24-3)20-16(23)25-10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,20,23)/t13-,14-,18-/m1/s1
InChIKey SZTIRTQKESYPEF-HBUWYVDXSA-N
Mol Weight 377.4 g/mol
Molecular Formula C18H23N3O6
Exact Mass 377.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl8lr5U5klg
Name Methyl (3S,4S,4'S)-(+)-3-[N-benzyloxycarbonylamino]-4-(2',2'-dimethyl-1',3'-dioxalane-4'-yl)-1-pyrazoline-3-carboxylate
Alternate Name(s) Methyl (3R,4S,4'S)-(+)-3-[N-benzyloxycarbonylamino]-4-(2',2'-dimethyl-1',3'-dioxalane-4'-yl)-1-pyrazoline-3-carboxylate
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Formula C18H23N3O6
InChI InChI=1S/C18H23N3O6/c1-17(2)26-11-14(27-17)13-9-19-21-18(13,15(22)24-3)20-16(23)25-10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,20,23)/t13-,14-,18-/m1/s1
InChIKey SZTIRTQKESYPEF-HBUWYVDXSA-N
Molecular Weight 377.397 g/mol
SMILES N([C@@]1([C@@]([C@@]2(OC(C)(C)OC2)[H])(CN=N1)[H])C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-0006-9400000000-35867100eff0c41713d4
Source of Spectrum F-53-3784-6
Wiley ID 801161