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Ethyl 8-Hydroxy-(6R,7S)-6,7-O-isopropylidene-(2E,4Z)-octadienoate
SpectraBase Compound ID HTdEQN4S9K7
InChI InChI=1S/C13H20O5/c1-4-16-12(15)8-6-5-7-10-11(9-14)18-13(2,3)17-10/h5-8,10-11,14H,4,9H2,1-3H3/b7-5-,8-6+
InChIKey IKWYJQMWTADLIA-CGXWXWIYSA-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 3dKTMis2B3c
Name Ethyl 8-Hydroxy-(6R,7S)-6,7-O-isopropylidene-(2E,4Z)-octadienoate
CAS Registry Number 127758-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-4-16-12(15)8-6-5-7-10-11(9-14)18-13(2,3)17-10/h5-8,10-11,14H,4,9H2,1-3H3/b7-5-,8-6+
InChIKey IKWYJQMWTADLIA-CGXWXWIYSA-N
Molecular Weight 256.298 g/mol
SMILES OCC1OC(OC1\C=C/C=C/C(=O)OCC)(C)C
SPLASH splash10-0pb9-5970000000-44932969a11cdb6b9d2d
Source of Spectrum J-55-4686-14
Synonyms Ethyl (2E,4Z)-5-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-pentadienoate
Wiley ID 1259571