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1-Acetoxy-1,3-butadiene
SpectraBase Compound ID Ji45m786Fes
InChI InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+
InChIKey NMQQBXHZBNUXGJ-SNAWJCMRSA-N
Mol Weight 112.13 g/mol
Molecular Formula C6H8O2
Exact Mass 112.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24zTglCZLro
Name 1,3-Butadien-1-ol, acetate
CAS Registry Number 1515-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O2
InChI InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+
InChIKey NMQQBXHZBNUXGJ-SNAWJCMRSA-N
Molecular Weight 112.128 g/mol
SMILES CC(=O)O\C=C\C=C
SPLASH splash10-0006-9000000000-1ba3fab4f1ad2686891f
Source of Spectrum IC-75-0-0
Synonyms (1E)-1,3-Butadienyl acetate 1,3-Butadienyl acetate 1,3-Butadienylester kyseliny octove 1-Acetoxy-1,3-butadiene 1-Acetoxybutadiene Acetic acid, 1,3-butadienyl ester Butadienyl acetate [(1E)-buta-1,3-dienyl] acetate Butadienyl-4-acetate [(1E)-buta-1,3-dienyl] ethanoate (E)-buta-1,3-dien-1-yl acetate BRN 1743394 EINECS 216-159-6
Wiley ID 1123094