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3-Methyl-2-buten-1-ol acetate
SpectraBase Compound ID LcrPuy71YVE
InChI InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChIKey XXIKYCPRDXIMQM-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaeCjl7qj2q
Name 3-Methyl-2-buten-1-ol acetate
CAS Registry Number 1191-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
InChIKey XXIKYCPRDXIMQM-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES C(COC(C)=O)=C(C)C
SPLASH splash10-00kf-9000000000-76c540ebfcfd797dbe52
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Buten-1-ol acetate<3-methyl-2->
Wiley ID 1887218