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5-Acetoxy-2,6,6-trimethyl-hept-3-enoic acid, methyl ester
SpectraBase Compound ID A2qvu7pswof
InChI InChI=1S/C13H22O4/c1-9(12(15)16-6)7-8-11(13(3,4)5)17-10(2)14/h7-9,11H,1-6H3/b8-7+
InChIKey SJZBROUOXJXXGJ-BQYQJAHWSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsALpCHYafb
Name 5-Acetoxy-2,6,6-trimethyl-hept-3-enoic acid, methyl ester
Alternate Name(s) (E)-5-acetoxy-2,6,6-trimethyl-hept-3-enoic acid methyl ester (E)-5-acetyloxy-2,6,6-trimethyl-3-heptenoic acid methyl ester Methyl (3E)-5-(acetyloxy)-2,6,6-trimethyl-3-heptenoate Methyl (E)-5-acetoxy-2,6,6-trimethyl-hept-3-enoate Methyl (E)-5-acetyloxy-2,6,6-trimethyl-hept-3-enoate
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-9(12(15)16-6)7-8-11(13(3,4)5)17-10(2)14/h7-9,11H,1-6H3/b8-7+
InChIKey SJZBROUOXJXXGJ-BQYQJAHWSA-N
Molecular Weight 242.315 g/mol
SMILES CC(\C=C\C(OC(C)=O)C(C)(C)C)C(=O)OC
SPLASH splash10-01ox-9800000000-abef64eb67fed037ba38
Wiley ID 1481998