For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Butenedioic acid, 2-[5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-1,3-hexadienyl]-, dimethyl ester, (E,E,E)-
SpectraBase Compound ID B7mWCPyKGNn
InChI InChI=1S/C19H24O8/c1-12(19(4)16(22)26-18(2,3)27-17(19)23)9-7-8-10-13(15(21)25-6)11-14(20)24-5/h7-12H,1-6H3/b9-7+,10-8+,13-11+
InChIKey BPBYKVNXKLWRSH-CWCVLZLJSA-N
Mol Weight 380.39 g/mol
Molecular Formula C19H24O8
Exact Mass 380.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AAEqnyQ958a
Name 2-Butenedioic acid, 2-[5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-1,3-hexadienyl]-, dimethyl ester, (E,E,E)-
CAS Registry Number 58838-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O8
InChI InChI=1S/C19H24O8/c1-12(19(4)16(22)26-18(2,3)27-17(19)23)9-7-8-10-13(15(21)25-6)11-14(20)24-5/h7-12H,1-6H3/b9-7+,10-8+,13-11+
InChIKey BPBYKVNXKLWRSH-CWCVLZLJSA-N
Molecular Weight 380.393 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)(C(\C=C\C=C\C(=C/C(=O)OC)C(=O)OC)C)C
SPLASH splash10-00l6-9721000000-787e4b2e73189b855c72
Source of Spectrum C-98-1211-0
Synonyms Dimethyl (2E)-2-[(1E,3E)-5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-1,3-hexadienyl]-2-butenedioate Methyl(E,E)-3-carbomethoxy-9,9-dicarbo-cyclic-isopropoxy-8-methyl-2,4,6-decatrienoate
Wiley ID 1359603