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1,4-Dioxaspiro[4.4]nonane-6-acetic acid, 7-[2-(5-hydroxy-3-pentenyl)-1,3-dithian-2-yl]-, ethyl ester, [6.alpha.,7.beta.(Z)]-(.+-.)-
SpectraBase Compound ID 54yMskagcTQ
InChI InChI=1S/C20H32O5S2/c1-2-23-18(22)15-17-16(7-9-19(17)24-11-12-25-19)20(8-4-3-5-10-21)26-13-6-14-27-20/h3,5,16-17,21H,2,4,6-15H2,1H3/b5-3-/t16-,17+/m0/s1
InChIKey JESCUXKWFJNYTM-BALLFRDNSA-N
Mol Weight 416.6 g/mol
Molecular Formula C20H32O5S2
Exact Mass 416.169116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ce3IGfQ5Zf
Name 1,4-Dioxaspiro[4.4]nonane-6-acetic acid, 7-[2-(5-hydroxy-3-pentenyl)-1,3-dithian-2-yl]-, ethyl ester, [6.alpha.,7.beta.(Z)]-(.+-.)-
Alternate Name(s) Ethyl ((6R,7S)-7-{2-[(3Z)-5-hydroxy-3-pentenyl]-1,3-dithian-2-yl}-1,4-dioxaspiro[4.4]non-6-yl)acetate Ethyl 2-ethylenedioxy-t-5-[2-(Z)-(5-hydroxypent-3-enyl 1,3-dithian-2-yl]cyclopentan-r-1-ylacetate Ethyl 2-ethylenedioxy-t-5-[2-(Z)-(5-hydroxypent-3-enyl-1,3-dithian-2-yl]cyclopentan-r-1-ylacetate
CAS Registry Number 111613-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O5S2
InChI InChI=1S/C20H32O5S2/c1-2-23-18(22)15-17-16(7-9-19(17)24-11-12-25-19)20(8-4-3-5-10-21)26-13-6-14-27-20/h3,5,16-17,21H,2,4,6-15H2,1H3/b5-3-/t16-,17+/m0/s1
InChIKey JESCUXKWFJNYTM-BALLFRDNSA-N
Molecular Weight 416.591 g/mol
SMILES OC\C=C/CCC1([C@@]2([C@](C3(OCCO3)CC2)(CC(=O)OCC)[H])[H])SCCCS1
SPLASH splash10-0udi-1091000000-5d107a7619ecbd80b1c1
Source of Spectrum KC-1986-1936-12
Wiley ID 1376248