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Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-5-methyl-3-(1-methylethyl)-4,6-dioxo-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID JnIB6NbmOTS
InChI InChI=1S/C12H18N2O4/c1-5(2)8-6-7(9(13-8)12(17)18-4)11(16)14(3)10(6)15/h5-9,13H,1-4H3/t6-,7+,8-,9-/m1/s1
InChIKey VHPKKOCZHSHQNO-BZNPZCIMSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H18N2O4
Exact Mass 254.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr0NUgunk2z
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-5-methyl-3-(1-methylethyl)-4,6-dioxo-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 111098-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O4
InChI InChI=1S/C12H18N2O4/c1-5(2)8-6-7(9(13-8)12(17)18-4)11(16)14(3)10(6)15/h5-9,13H,1-4H3/t6-,7+,8-,9-/m1/s1
InChIKey VHPKKOCZHSHQNO-BZNPZCIMSA-N
Molecular Weight 254.286 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)[H])(C(N(C2=O)C)=O)[H])[H])(C(C)C)[H]
SPLASH splash10-03xu-9740000000-0aa5a9e1e446ee1046b7
Source of Spectrum AJ-60-4073-19
Synonyms Methyl (1R,3R,3aR,6aS)-3-isopropyl-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate syn-endo-1,3,3a,4,6,6a-hexahydro-4-methoxycarbonyl-2-methyl-6-(1-methylethyl)pyrrolo[3,4-c]pyrrol-1,3-dione
Wiley ID 1257414