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(3-acetylindolizin-8-yl) benzoate
SpectraBase Compound ID BrIUPF2DH8g
InChI InChI=1S/C17H13NO3/c1-12(19)14-9-10-15-16(8-5-11-18(14)15)21-17(20)13-6-3-2-4-7-13/h2-11H,1H3
InChIKey DJICFEOBVMDGGR-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WnSQ5QbAPq
Name (3-acetylindolizin-8-yl) benzoate
Alternate Name(s) (3-ethanoylindolizin-8-yl) benzoate benzoic acid (3-acetyl-8-indolizinyl) ester benzoic acid (3-acetylindolizin-8-yl) ester
CAS Registry Number 81357-82-6
Comments Less than 3 mono-isotopic peaks
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Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-12(19)14-9-10-15-16(8-5-11-18(14)15)21-17(20)13-6-3-2-4-7-13/h2-11H,1H3
InChIKey DJICFEOBVMDGGR-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES c12[n](C=CC=C2OC(=O)c2ccccc2)c(cc1)C(=O)C
SPLASH splash10-0a4i-0910000000-8d5929c1befebb821a60
Source of Spectrum Y-19-340-0
Wiley ID 1283093