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2-Butenoic acid, 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-, methyl ester, [S-(E)]-
SpectraBase Compound ID 4knDytXs4pn
InChI InChI=1S/C10H16O4/c1-10(2)13-7-8(14-10)5-4-6-9(11)12-3/h4,6,8H,5,7H2,1-3H3/b6-4+/t8-/m0/s1
InChIKey CEIJSFYNOQNUCA-JQTRYQTASA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9bq5DhfDFd
Name 2-Butenoic acid, 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-, methyl ester, [S-(E)]-
Alternate Name(s) (E/Z)-methyl 4-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)but-2-enoate Methyl (2E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-butenoate Methyl (S)-5,6-di-O-isopropylidene-5,6-dihydroxy-2-hexenoate (S,E)-methyl 4-(2,2-dimethyl-1,3-dioxolan-4-yl)but-2-enoate
CAS Registry Number 123151-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-10(2)13-7-8(14-10)5-4-6-9(11)12-3/h4,6,8H,5,7H2,1-3H3/b6-4+/t8-/m0/s1
InChIKey CEIJSFYNOQNUCA-JQTRYQTASA-N
Molecular Weight 200.234 g/mol
SMILES C1(O[C@@](C\C=C\C(=O)OC)(CO1)[H])(C)C
SPLASH splash10-0f79-2900000000-a819b4204e3d16ad60b2
Source of Spectrum J-54-5159-29
Wiley ID 1197460