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(S)-2-Acetoxy-propionic acid (3aR,4S,7aR)-6-methyl-1,3-dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl ester
SpectraBase Compound ID tLwWsZRIwm
InChI InChI=1S/C20H21NO6/c1-11-9-15-17(16(10-11)27-20(25)12(2)26-13(3)22)19(24)21(18(15)23)14-7-5-4-6-8-14/h4-8,10,12,15-17H,9H2,1-3H3/t12-,15+,16-,17+/m0/s1
InChIKey GHSTUZOZOFLTKF-NKKGCODLSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IE7sygNzCBC
Name (S)-2-Acetoxy-propionic acid (3aR,4S,7aR)-6-methyl-1,3-dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl ester
Alternate Name(s) (3aR,4S,7aR)-6-methyl-1,3-dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl (2S)-2-(acetyloxy)propanoate Dimethyl-2,3,3a,4,7,7a-hexahydro-6-methyl-1,3-dioxo-2-phenyl-1H-isoindol-4-propanedioate
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Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-11-9-15-17(16(10-11)27-20(25)12(2)26-13(3)22)19(24)21(18(15)23)14-7-5-4-6-8-14/h4-8,10,12,15-17H,9H2,1-3H3/t12-,15+,16-,17+/m0/s1
InChIKey GHSTUZOZOFLTKF-NKKGCODLSA-N
Molecular Weight 371.389 g/mol
SMILES C1(N(C([C@@]2(CC(=C[C@@]([C@]12[H])(OC([C@@](OC(=O)C)(C)[H])=O)[H])C)[H])=O)c1ccccc1)=O
SPLASH splash10-000f-6690000000-1aba93efd1f29d6bab86
Source of Spectrum H1-50-710-12
Wiley ID 816912