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Pentanedioicacid, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl 2,2,2-trichloroethyl ester, (1R-trans)-
SpectraBase Compound ID Lc5xnIUVwtY
InChI InChI=1S/C15H20Cl3NO5/c16-15(17,18)9-24-13(22)3-1-2-12(21)23-8-10-4-6-19-7-5-11(20)14(10)19/h4,11,14,20H,1-3,5-9H2/t11-,14+/m1/s1
InChIKey SDBSSYWTRZQQHC-RISCZKNCSA-N
Mol Weight 400.69 g/mol
Molecular Formula C15H20Cl3NO5
Exact Mass 399.040706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHLI3FPA8ct
Name Pentanedioicacid, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl 2,2,2-trichloroethyl ester, (1R-trans)-
Alternate Name(s) 1-{[(1R,7aS)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7-yl]methyl} 5-(2,2,2-trichloroethyl) pentanedioate 9-O-(4-(2,2,2-trichloro ethoxy carbonyl)butanoyl)retronecine Retronecine 9-(trichloroacetyl glutarate)
CAS Registry Number 63128-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20Cl3NO5
InChI InChI=1S/C15H20Cl3NO5/c16-15(17,18)9-24-13(22)3-1-2-12(21)23-8-10-4-6-19-7-5-11(20)14(10)19/h4,11,14,20H,1-3,5-9H2/t11-,14+/m1/s1
InChIKey SDBSSYWTRZQQHC-RISCZKNCSA-N
Molecular Weight 400.686 g/mol
SMILES O[C@@]1(CCN2[C@]1(C(=CC2)COC(=O)CCCC(=O)OCC(Cl)(Cl)Cl)[H])[H]
SPLASH splash10-000l-7900000000-bce9c941fe0d98816b69
Source of Spectrum KC-1977-542-0
Wiley ID 1368871