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4-Pentenoic acid, 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-formyl-, ethyl ester, [S-(E)]-
SpectraBase Compound ID GotLhXgslDS
InChI InChI=1S/C13H20O5/c1-4-16-12(15)6-5-10(8-14)7-11-9-17-13(2,3)18-11/h7-8,11H,4-6,9H2,1-3H3/b10-7+/t11-/m0/s1
InChIKey XIFUUNKPUQIKBR-HUYFXPKMSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABrImqH3fI8
Name 4-Pentenoic acid, 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-formyl-, ethyl ester, [S-(E)]-
CAS Registry Number 81793-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-4-16-12(15)6-5-10(8-14)7-11-9-17-13(2,3)18-11/h7-8,11H,4-6,9H2,1-3H3/b10-7+/t11-/m0/s1
InChIKey XIFUUNKPUQIKBR-HUYFXPKMSA-N
Molecular Weight 256.298 g/mol
SMILES C1(O[C@@](\C=C\(C=O)CCC(=O)OCC)(CO1)[H])(C)C
SPLASH splash10-007o-7910000000-a30aaa33b25c41b44353
Source of Spectrum AC-1981-439-0
Synonyms Ethyl (4E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-formyl-4-pentenoate Ethyl ester of 6,7-(isopropylidenedioxy)-4-formylhept-4-enoic acid
Wiley ID 1259563