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4-Pentenoic acid, 4-(diethoxymethyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-, ethyl ester, [S-(Z)]-
SpectraBase Compound ID FY9JDeS24ww
InChI InChI=1S/C17H30O6/c1-6-19-15(18)10-9-13(16(20-7-2)21-8-3)11-14-12-22-17(4,5)23-14/h11,14,16H,6-10,12H2,1-5H3/b13-11-/t14-/m0/s1
InChIKey PYMCAMHAHXWJKI-FZDNWWAKSA-N
Mol Weight 330.42 g/mol
Molecular Formula C17H30O6
Exact Mass 330.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0nOfoj9J0i
Name 4-Pentenoic acid, 4-(diethoxymethyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-, ethyl ester, [S-(Z)]-
CAS Registry Number 81793-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O6
InChI InChI=1S/C17H30O6/c1-6-19-15(18)10-9-13(16(20-7-2)21-8-3)11-14-12-22-17(4,5)23-14/h11,14,16H,6-10,12H2,1-5H3/b13-11-/t14-/m0/s1
InChIKey PYMCAMHAHXWJKI-FZDNWWAKSA-N
Molecular Weight 330.421 g/mol
SMILES [C@@]1(\C=C/(C(OCC)OCC)CCC(=O)OCC)(OC(C)(C)OC1)[H]
SPLASH splash10-0ul9-5900000000-281160554ad23e292521
Source of Spectrum AC-1981-439-0
Synonyms Ethyl (4Z)-4-(diethoxymethyl)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-pentenoate Ethyl ester of 6,7-(isopropylidenedioxy)-4-(diethoxymethyl)-hept-4-eno
Wiley ID 1327721