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Propanedioic acid, [1-(3-ethoxy-1,3-dioxopropoxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ethyl ester, (1R-trans)-
SpectraBase Compound ID 71AM4fWgp1a
InChI InChI=1S/C18H25NO8/c1-3-24-14(20)9-16(22)26-11-12-5-7-19-8-6-13(18(12)19)27-17(23)10-15(21)25-4-2/h5,13,18H,3-4,6-11H2,1-2H3/t13-,18+/m1/s1
InChIKey WKDPDUZSTFNRPF-ACJLOTCBSA-N
Mol Weight 383.4 g/mol
Molecular Formula C18H25NO8
Exact Mass 383.158017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kFqyZaiwU
Name Propanedioic acid, [1-(3-ethoxy-1,3-dioxopropoxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ethyl ester, (1R-trans)-
Alternate Name(s) 1-({(1R,7aS)-1-[(3-ethoxy-3-oxopropanoyl)oxy]-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7-yl}methyl) 3-ethyl malonate 7,9-bis-O-(2-ethoxy carbonyl acetyl)retronecine Retronecine bis(ethyl malonate)
CAS Registry Number 63128-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO8
InChI InChI=1S/C18H25NO8/c1-3-24-14(20)9-16(22)26-11-12-5-7-19-8-6-13(18(12)19)27-17(23)10-15(21)25-4-2/h5,13,18H,3-4,6-11H2,1-2H3/t13-,18+/m1/s1
InChIKey WKDPDUZSTFNRPF-ACJLOTCBSA-N
Molecular Weight 383.397 g/mol
SMILES C=1([C@@]2(N(CC[C@]2(OC(CC(=O)OCC)=O)[H])CC1)[H])COC(CC(=O)OCC)=O
SPLASH splash10-0006-9610000000-235f7c6edbd5cd14afc8
Source of Spectrum KC-1977-542-0
Wiley ID 1361010