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Pyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione, hexahydro-2-(4-methylphenyl)-, (3a.alpha.,8a.beta.,8b.alpha.)-
SpectraBase Compound ID Cpvw6JprLsO
InChI InChI=1S/C16H18N2O2/c1-10-4-6-11(7-5-10)18-15(19)12-9-17-8-2-3-13(17)14(12)16(18)20/h4-7,12-14H,2-3,8-9H2,1H3/t12-,13+,14-/m0/s1
InChIKey NEZQDXCOCKBUND-MJBXVCDLSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CA4Dygef7H
Name Pyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione, hexahydro-2-(4-methylphenyl)-, (3a.alpha.,8a.beta.,8b.alpha.)-
CAS Registry Number 115074-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O2
InChI InChI=1S/C16H18N2O2/c1-10-4-6-11(7-5-10)18-15(19)12-9-17-8-2-3-13(17)14(12)16(18)20/h4-7,12-14H,2-3,8-9H2,1H3/t12-,13+,14-/m0/s1
InChIKey NEZQDXCOCKBUND-MJBXVCDLSA-N
Molecular Weight 270.332 g/mol
SMILES C1(N(C([C@@]2([C@@]3(N(C[C@]12[H])CCC3)[H])[H])=O)c1ccc(cc1)C)=O
SPLASH splash10-001i-9300000000-aae3bef63fa7f018e9fe
Source of Spectrum AJ-60-4086-0
Synonyms (3aR,8aR,8bS)-2-(4-methylphenyl)hexahydrodipyrrolo[1,2-a:3,4-c]pyrrole-1,3(2H,4H)-dione 8a,8b-trans-2-(p-tolyl)-octahydropyrrolo[3,4-a]pyrrolizin-1,3-dione
Wiley ID 1274440