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1-(2-ACETOXYETHYL)-2-(1-METHYL-3-BROMO-2-OXOBUTYL)-PYRROLE
SpectraBase Compound ID IJJTn4bl6iY
InChI InChI=1S/C13H18BrNO3/c1-9(13(17)10(2)14)12-5-4-6-15(12)7-8-18-11(3)16/h4-6,9-10H,7-8H2,1-3H3
InChIKey JKTLZOXEGXDJCT-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C13H18BrNO3
Exact Mass 315.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmdvPlXPbxe
Name 2-[2-(3-bromo-1-methyl-2-oxo-butyl)pyrrol-1-yl]ethyl acetate
Alternate Name(s) 2-[2-(4-bromanyl-3-oxidanylidene-pentan-2-yl)pyrrol-1-yl]ethyl ethanoate 2-[2-(4-bromo-3-oxopentan-2-yl)pyrrol-1-yl]ethyl acetate Acetic acid 2-[2-(3-bromo-2-keto-1-methyl-butyl)pyrrol-1-yl]ethyl ester Acetic acid 2-[2-(4-bromo-3-oxopentan-2-yl)-1-pyrrolyl]ethyl ester
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Formula C13H18BrNO3
InChI InChI=1S/C13H18BrNO3/c1-9(13(17)10(2)14)12-5-4-6-15(12)7-8-18-11(3)16/h4-6,9-10H,7-8H2,1-3H3
InChIKey JKTLZOXEGXDJCT-UHFFFAOYSA-N
Molecular Weight 316.195 g/mol
SMILES c1(C(C(=O)C(Br)C)C)[n](ccc1)CCOC(=O)C
SPLASH splash10-0019-9700000000-69491a4fbb0d21f53d89
Source of Spectrum AH-130-570-15
Wiley ID 770615