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8-(3,4-dichloro-2,5-diketo-3-pyrrolin-1-yl)caprylic acid
SpectraBase Compound ID EzneE46h0as
InChI InChI=1S/C12H15Cl2NO4/c13-9-10(14)12(19)15(11(9)18)7-5-3-1-2-4-6-8(16)17/h1-7H2,(H,16,17)
InChIKey PJGCMQLEJTWDIO-UHFFFAOYSA-N
Mol Weight 308.16 g/mol
Molecular Formula C12H15Cl2NO4
Exact Mass 307.037813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jMVhwme2KB
Name 8-(3,4-dichloro-2,5-diketo-3-pyrrolin-1-yl)caprylic acid
Alternate Name(s) 8-(3,4-dichloro-2,5-dioxo-1-pyrrolyl)octanoic acid 8-(3,4-dichloro-2,5-dioxo-pyrrol-1-yl)octanoic acid 8-[3,4-bis(chloranyl)-2,5-bis(oxidanylidene)pyrrol-1-yl]octanoic acid
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Formula C12H15Cl2NO4
InChI InChI=1S/C12H15Cl2NO4/c13-9-10(14)12(19)15(11(9)18)7-5-3-1-2-4-6-8(16)17/h1-7H2,(H,16,17)
InChIKey PJGCMQLEJTWDIO-UHFFFAOYSA-N
Molecular Weight 308.161 g/mol
SMILES OC(CCCCCCCN1C(C(=C(C1=O)Cl)Cl)=O)=O
SPLASH splash10-0adi-5902000000-eef89f593dad42ef672a
Source of Spectrum E1-39-1700-57
Wiley ID 1598709