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Ethyl (E)-2-(1, 1-dimethylethyl)-5-acetoxy-3-hexenoate
SpectraBase Compound ID If2A24iV9hl
InChI InChI=1S/C14H24O4/c1-7-17-13(16)12(14(4,5)6)9-8-10(2)18-11(3)15/h8-10,12H,7H2,1-6H3/b9-8+/t10-,12+/m1/s1
InChIKey HFYWXPMUKFXPES-QMTFQVMMSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZGzVVMLg1p
Name Ethyl (E)-2-(1, 1-dimethylethyl)-5-acetoxy-3-hexenoate
Alternate Name(s) (2R,5R,E)-ethyl 5-acetoxy-2-(tert-butyl)hex-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-7-17-13(16)12(14(4,5)6)9-8-10(2)18-11(3)15/h8-10,12H,7H2,1-6H3/b9-8+/t10-,12+/m1/s1
InChIKey HFYWXPMUKFXPES-QMTFQVMMSA-N
Literature Reference DOI 10.1021/ol800727f
Molecular Weight 256.342 g/mol
SMILES C[C@](\C=C\[C@@](C(OCC)=O)(C(C)(C)C)[H])(OC(=O)C)[H]
SPLASH splash10-001i-9000000000-50cbe7f0221ff78f0409
Source of Spectrum A1-10-2087/SMS4-5d
Wiley ID 1759474