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Pyrrolo[3,4-c]pyrrole-1-carbonitrile, 2-acetyloctahydro-3-(2-hydroxyphenyl)-5-methyl-4,6-dioxo-, (1.alpha.,3.beta.,3a.alpha.,6a.a lpha.)-

View entire compound with spectra: 1 MS (GC)

Pyrrolo[3,4-c]pyrrole-1-carbonitrile, 2-acetyloctahydro-3-(2-hydroxyphenyl)-5-methyl-4,6-dioxo-, (1.alpha.,3.beta.,3a.alpha.,6a.a lpha.)-
SpectraBase Compound ID HWsSAGxkbEE
InChI InChI=1S/C16H15N3O4/c1-8(20)19-10(7-17)12-13(16(23)18(2)15(12)22)14(19)9-5-3-4-6-11(9)21/h3-6,10,12-14,21H,1-2H3/t10-,12-,13-,14-/m0/s1
InChIKey OPODAKJNFQSUFB-PYJNHQTQSA-N
Mol Weight 313.31 g/mol
Molecular Formula C16H15N3O4
Exact Mass 313.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSKX6CQ2S45
Name Pyrrolo[3,4-c]pyrrole-1-carbonitrile, 2-acetyloctahydro-3-(2-hydroxyphenyl)-5-methyl-4,6-dioxo-, (1.alpha.,3.beta.,3a.alpha.,6a.a lpha.)-
Alternate Name(s) (1R,3R,3aS,6aR)-2-acetyl-3-(2-hydroxyphenyl)-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carbonitrile 2-(2-Hydroxyphenyl)-3-acetyl-4-cyano-7-methyl-3,7-diazacyclo[3.3.0]octa-6,8-dione
CAS Registry Number 122373-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O4
InChI InChI=1S/C16H15N3O4/c1-8(20)19-10(7-17)12-13(16(23)18(2)15(12)22)14(19)9-5-3-4-6-11(9)21/h3-6,10,12-14,21H,1-2H3/t10-,12-,13-,14-/m0/s1
InChIKey OPODAKJNFQSUFB-PYJNHQTQSA-N
Molecular Weight 313.313 g/mol
SMILES Oc1c([C@@]2(N(C(=O)C)[C@]([C@]3([C@@]2(C(N(C)C3=O)=O)[H])[H])(C#N)[H])[H])cccc1
SPLASH splash10-03di-0942000000-5c466ec18f9039887566
Source of Spectrum AJ-62-812-12
Wiley ID 1314176