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1H-Pyrrole-2-carboxylic acid, 5-[(hexahydro-3,3-dimethyl-2,5-dioxopyrrolo[2,3-b]pyrrol-6a(1H)-yl)methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, cis-(.+-.)-
SpectraBase Compound ID 8SwhoUY201B
InChI InChI=1S/C20H29N3O4/c1-10-11(2)15(16(25)27-18(3,4)5)21-12(10)9-20-13(8-14(24)22-20)19(6,7)17(26)23-20/h13,21H,8-9H2,1-7H3,(H,22,24)(H,23,26)/t13-,20+/m0/s1
InChIKey RJEWYIWCQKWOTL-RNODOKPDSA-N
Mol Weight 375.47 g/mol
Molecular Formula C20H29N3O4
Exact Mass 375.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeSkrTlE3jw
Name 1H-Pyrrole-2-carboxylic acid, 5-[(hexahydro-3,3-dimethyl-2,5-dioxopyrrolo[2,3-b]pyrrol-6a(1H)-yl)methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, cis-(.+-.)-
Alternate Name(s) Pyrrolo[2,3-b]pyrrole, 1H-pyrrole-2-carboxylic acid deriv. (t-butyl) (3RS,4RS)-1,3(2)-dioxo-2,3,3(1),3(2),4,5-hexahydro-2,2,7,8-tetramethyl-pyrrolo[2,3-c]dipyrrine-9(10H)-carboxylate tert-Butyl 5-[((3aS,6aR)-3,3-dimethyl-2,5-dioxohexahydropyrrolo[2,3-b]pyrrol-6a(1H)-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
CAS Registry Number 120483-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O4
InChI InChI=1S/C20H29N3O4/c1-10-11(2)15(16(25)27-18(3,4)5)21-12(10)9-20-13(8-14(24)22-20)19(6,7)17(26)23-20/h13,21H,8-9H2,1-7H3,(H,22,24)(H,23,26)/t13-,20+/m0/s1
InChIKey RJEWYIWCQKWOTL-RNODOKPDSA-N
Molecular Weight 375.469 g/mol
SMILES N1C(C([C@]2([C@]1(Cc1c(c(c([nH]1)C(OC(C)(C)C)=O)C)C)NC(C2)=O)[H])(C)C)=O
SPLASH splash10-1009-0931000000-064006cdb5f0fe412d6f
Source of Spectrum AH-119-827-3
Wiley ID 1357186