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Ethyl (4S,5S,2E)-5,6-Isopropylidene-4-methylhexenoate
SpectraBase Compound ID AbknO1MPxVQ
InChI InChI=1S/C12H20O4/c1-5-14-11(13)7-6-9(2)10-8-15-12(3,4)16-10/h6-7,9-10H,5,8H2,1-4H3/b7-6+/t9-,10+/m0/s1
InChIKey BXTDYXUOSPCKDP-LOSXEJPUSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHiyOS9GkVd
Name Ethyl (4S,5S,2E)-5,6-Isopropylidene-4-methylhexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-5-14-11(13)7-6-9(2)10-8-15-12(3,4)16-10/h6-7,9-10H,5,8H2,1-4H3/b7-6+/t9-,10+/m0/s1
InChIKey BXTDYXUOSPCKDP-LOSXEJPUSA-N
Molecular Weight 228.288 g/mol
SMILES C1(O[C@](CO1)([C@](\C=C\C(=O)OCC)(C)[H])[H])(C)C
SPLASH splash10-0udl-5910000000-72b66877afbece42c104
Source of Spectrum K1-0-904-5
Synonyms Ethyl (2E,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pentenoate (E,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-pentenoic acid ethyl ester Ethyl (E,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
Wiley ID 1588429