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2-Pentenoic acid, 2-acetyl-4-methyl-, methyl ester, (E)-
SpectraBase Compound ID 40b2QVzHN9w
InChI InChI=1S/C9H14O3/c1-6(2)5-8(7(3)10)9(11)12-4/h5-6H,1-4H3/b8-5+
InChIKey RIHXZHSTLUOADR-VMPITWQZSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iyjgfm1zyiv
Name 2-Pentenoic acid, 2-acetyl-4-methyl-, methyl ester, (E)-
CAS Registry Number 20047-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-6(2)5-8(7(3)10)9(11)12-4/h5-6H,1-4H3/b8-5+
InChIKey RIHXZHSTLUOADR-VMPITWQZSA-N
Molecular Weight 170.208 g/mol
SMILES C(\C(=C\C(C)C)C(=O)C)(=O)OC
SPLASH splash10-002g-9600000000-ce3d67e2ec960f5b2833
Source of Spectrum AN-87-221-0
Synonyms (E)-2-acetyl-4-methyl-2-pentenoic acid methyl ester (E)-2-acetyl-4-methyl-pent-2-enoic acid methyl ester Methyl (E)-2-acetyl-4-methyl-pent-2-enoate Methyl (E)-2-ethanoyl-4-methyl-pent-2-enoate
Wiley ID 1166509