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2-Butenedioic acid, 2-[3-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-1-butenyl]-, dimethyl ester, (E,E)-
SpectraBase Compound ID 6Jox8Fj5wF1
InChI InChI=1S/C17H22O8/c1-10(7-8-11(13(19)23-6)9-12(18)22-5)17(4)14(20)24-16(2,3)25-15(17)21/h7-10H,1-6H3/b8-7+,11-9+
InChIKey BMKKQEONTCDQPC-MFDVASPDSA-N
Mol Weight 354.36 g/mol
Molecular Formula C17H22O8
Exact Mass 354.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 324ibw6EGO
Name 2-Butenedioic acid, 2-[3-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-1-butenyl]-, dimethyl ester, (E,E)-
CAS Registry Number 58838-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O8
InChI InChI=1S/C17H22O8/c1-10(7-8-11(13(19)23-6)9-12(18)22-5)17(4)14(20)24-16(2,3)25-15(17)21/h7-10H,1-6H3/b8-7+,11-9+
InChIKey BMKKQEONTCDQPC-MFDVASPDSA-N
Molecular Weight 354.355 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)(C(\C=C\C(=C/C(=O)OC)C(=O)OC)C)C
SPLASH splash10-067l-6920000000-2c36ec849cb39a1185ca
Source of Spectrum C-98-1211-0
Synonyms Methyl(Z,E)-3-carbomethoxy-7,7-dicarbo-cyclic -isopropoxy-6-methyl-2,4-octadienoate Methyl(E,E)-3-carbomethoxy-7,7-dicarbo-cyclic-isopropoxy-6-methyl-2,4-octadienoate Dimethyl (2E)-2-[(1E)-3-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-1-butenyl]-2-butenedioate
Wiley ID 1344381