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tert-Butyl (2E,5S)-5-hydroxyhepta-2,6-dienoate
SpectraBase Compound ID IPVKuzwokPh
InChI InChI=1S/C11H18O3/c1-5-9(12)7-6-8-10(13)14-11(2,3)4/h5-6,8-9,12H,1,7H2,2-4H3/b8-6+/t9-/m1/s1
InChIKey QNVGKXKHKDQXOF-BNICOGTQSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpA61BIsSc5
Name tert-Butyl (2E,5S)-5-hydroxyhepta-2,6-dienoate
Alternate Name(s) tert-Butyl (2E,5S)-5-oxidanylhepta-2,6-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-5-9(12)7-6-8-10(13)14-11(2,3)4/h5-6,8-9,12H,1,7H2,2-4H3/b8-6+/t9-/m1/s1
InChIKey QNVGKXKHKDQXOF-BNICOGTQSA-N
Molecular Weight 198.262 g/mol
SMILES O[C@](C=C)(C\C=C\C(OC(C)(C)C)=O)[H]
SPLASH splash10-052r-9000000000-504db81920feab3d15c6
Source of Spectrum F-56-6399-24
Wiley ID 858151