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Cyclopenta[b]pyrrole-1(2H)-acetic acid, hexahydro-3-(methoxycarbonyl)-2,5-dioxo-, ethyl ester, (3.alpha.,3a.alpha.,6a.alpha.)-
SpectraBase Compound ID KTyRSOaGDuh
InChI InChI=1S/C13H17NO6/c1-3-20-10(16)6-14-9-5-7(15)4-8(9)11(12(14)17)13(18)19-2/h8-9,11H,3-6H2,1-2H3/t8-,9+,11+/m0/s1
InChIKey GPTCSUAXHFCXPR-IQJOONFLSA-N
Mol Weight 283.28 g/mol
Molecular Formula C13H17NO6
Exact Mass 283.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lg5mSyLsPFg
Name Cyclopenta[b]pyrrole-1(2H)-acetic acid, hexahydro-3-(methoxycarbonyl)-2,5-dioxo-, ethyl ester, (3.alpha.,3a.alpha.,6a.alpha.)-
CAS Registry Number 82031-43-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO6
InChI InChI=1S/C13H17NO6/c1-3-20-10(16)6-14-9-5-7(15)4-8(9)11(12(14)17)13(18)19-2/h8-9,11H,3-6H2,1-2H3/t8-,9+,11+/m0/s1
InChIKey GPTCSUAXHFCXPR-IQJOONFLSA-N
Molecular Weight 283.280 g/mol
SMILES C1(N([C@]2([C@@]([C@]1(C(=O)OC)[H])(CC(C2)=O)[H])[H])CC(=O)OCC)=O
SPLASH splash10-01t9-0950000000-90e73ebbf62c3fefd8c6
Source of Spectrum K-115-1444-0
Synonyms Methyl (3R,3aR,6aR)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxooctahydrocyclopenta[b]pyrrole-3-carboxylate Methyl ester of octahydro-3-(methoxycarbonyl)-2,5-dioxocyclopenta[b]pyrrol-1-acetic acid
Wiley ID 1286776