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1-Acetoxy-4-iodobut-2-ene
SpectraBase Compound ID 9tpJpma2l89
InChI InChI=1S/C6H9IO2/c1-6(8)9-5-3-2-4-7/h2-3H,4-5H2,1H3/b3-2+
InChIKey RDZJUPMJPANSTG-NSCUHMNNSA-N
Mol Weight 240.04 g/mol
Molecular Formula C6H9IO2
Exact Mass 239.964725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCkwNiWLeHU
Name 1-Acetoxy-4-iodobut-2-ene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9IO2
InChI InChI=1S/C6H9IO2/c1-6(8)9-5-3-2-4-7/h2-3H,4-5H2,1H3/b3-2+
InChIKey RDZJUPMJPANSTG-NSCUHMNNSA-N
Literature Reference DOI 10.1021/ol1019103
Molecular Weight 240.040 g/mol
SMILES C(I)\C=C\COC(C)=O
SPLASH splash10-0ik9-7900000000-4eb10f3dd1e54276bc4e
Source of Spectrum A1-12-5604/SMS7-12
Synonyms (2E)-4-iodo-2-butenyl acetate (E)-4-iodobut-2-enyl acetate (E)-4-iodobut-2-en-1-yl acetate
Wiley ID 1752559