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2-[4,6-bis(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)-1,3,5-triazinan-2-ylidene]propanedioic acid dimethyl ester
SpectraBase Compound ID 8vmDYG4yiGX
InChI InChI=1S/C18H21N3O12/c1-28-13(22)7(14(23)29-2)10-19-11(8(15(24)30-3)16(25)31-4)21-12(20-10)9(17(26)32-5)18(27)33-6/h19-21H,1-6H3
InChIKey JTBXKUOOSPVOSY-UHFFFAOYSA-N
Mol Weight 471.38 g/mol
Molecular Formula C18H21N3O12
Exact Mass 471.112523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yxxeo1ve1x
Name 2-[4,6-bis(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)-1,3,5-triazinan-2-ylidene]propanedioic acid dimethyl ester
CAS Registry Number 56844-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O12
InChI InChI=1S/C18H21N3O12/c1-28-13(22)7(14(23)29-2)10-19-11(8(15(24)30-3)16(25)31-4)21-12(20-10)9(17(26)32-5)18(27)33-6/h19-21H,1-6H3
InChIKey JTBXKUOOSPVOSY-UHFFFAOYSA-N
Molecular Weight 471.375 g/mol
SMILES N1C(NC(NC1=C(C(=O)OC)C(=O)OC)=C(C(=O)OC)C(=O)OC)=C(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0019600000-d102b521b37664614b34
Source of Spectrum Y-12-1280-0
Synonyms 2-[4,6-bis(1-carbomethoxy-2-keto-2-methoxy-ethylidene)-1,3,5-triazinan-2-ylidene]malonic acid dimethyl ester Dimethyl 2-[4,6-bis(1,3-dimethoxy-1,3-dioxopropan-2-ylidene)-1,3,5-triazinan-2-ylidene]propanedioate Dimethyl 2-[4,6-bis(2-methoxy-1-methoxycarbonyl-2-oxo-ethylidene)-1,3,5-triazinan-2-ylidene]propanedioate Dimethyl 2-[4,6-bis[1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-ylidene]-1,3,5-triazinan-2-ylidene]propanedioate
Wiley ID 1393078