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6-Iodopiperonal

View entire compound with spectra: 2 MS (GC)

6-Iodopiperonal
SpectraBase Compound ID DuUu1tcFsKX
InChI InChI=1S/C8H5IO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
InChIKey TXKHPPMWTDBGHL-UHFFFAOYSA-N
Mol Weight 276.03 g/mol
Molecular Formula C8H5IO3
Exact Mass 275.928339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWElNeLIt2t
Name 6-Iodopiperonal
Alternate Name(s) 6-Iodanyl-1,3-benzodioxole-5-carbaldehyde 6-Iodobenzo[d][1,3]dioxole-5-carbaldehyde 6-Iodo-1,3-benzodioxole-5-carbaldehyde 6-Iodo-1,3-benzodioxole-5-carboxaldehyde
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Formula C8H5IO3
InChI InChI=1S/C8H5IO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
InChIKey TXKHPPMWTDBGHL-UHFFFAOYSA-N
Molecular Weight 276.029 g/mol
SMILES c1(c(cc2c(c1)OCO2)I)C=O
SPLASH splash10-004i-0290000000-153b24f6bb909573037c
Source of Spectrum J-60-591-12
Wiley ID 1279435