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2-Butenoic acid, 4-(2-propyl-1,3-dioxolan-2-yl)-, ethyl ester, (E)-
SpectraBase Compound ID KV5BZTnjA46
InChI InChI=1S/C12H20O4/c1-3-7-12(15-9-10-16-12)8-5-6-11(13)14-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
InChIKey ZNSZWLYXGOJCCC-AATRIKPKSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dNZvdCT4iD
Name 2-Butenoic acid, 4-(2-propyl-1,3-dioxolan-2-yl)-, ethyl ester, (E)-
Alternate Name(s) ethyl (2E)-4-(2-propyl-1,3-dioxolan-2-yl)-2-butenoate Ethyl 5,5-(ethylenedioxy)oct-2-enoate (E)-4-(2-propyl-1,3-dioxolan-2-yl)-2-butenoic acid ethyl ester ethyl (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-enoate
CAS Registry Number 127743-29-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-3-7-12(15-9-10-16-12)8-5-6-11(13)14-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
InChIKey ZNSZWLYXGOJCCC-AATRIKPKSA-N
Molecular Weight 228.288 g/mol
SMILES C1(OCCO1)(C\C=C\C(=O)OCC)CCC
SPLASH splash10-014i-0900000000-c9cc6960e28deb089c7c
Source of Spectrum B-42-1974-15
Wiley ID 1229546