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Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-acetyl-3a,6a-dihydro-5-phenyl-, cis-
SpectraBase Compound ID DLZJixhYPjk
InChI InChI=1S/C13H11N3O3/c1-7(17)10-9-11(15-14-10)13(19)16(12(9)18)8-5-3-2-4-6-8/h2-6,9,11,15H,1H3/t9-,11+/m1/s1
InChIKey SBGBGRHXBQPDGW-KOLCDFICSA-N
Mol Weight 257.25 g/mol
Molecular Formula C13H11N3O3
Exact Mass 257.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwbVnP1cdxH
Name Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-acetyl-3a,6a-dihydro-5-phenyl-, cis-
Alternate Name(s) (3aS,6aS)-3-acetyl-5-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione 2,3,7-Triaza-3-acetyl-6-phenylbicyclo[3.3.0]oct-3-en-5,7-dione
CAS Registry Number 108163-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O3
InChI InChI=1S/C13H11N3O3/c1-7(17)10-9-11(15-14-10)13(19)16(12(9)18)8-5-3-2-4-6-8/h2-6,9,11,15H,1H3/t9-,11+/m1/s1
InChIKey SBGBGRHXBQPDGW-KOLCDFICSA-N
Molecular Weight 257.249 g/mol
SMILES N1[C@]2([C@@](C(=N1)C(=O)C)(C(N(C2=O)c1ccccc1)=O)[H])[H]
SPLASH splash10-0aos-9470000000-bb5eca24210ec18cb80b
Source of Spectrum AJ-59-2859-24
Wiley ID 1260698