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2-Butenoic acid, 4-(2-pentyl-1,3-dioxolan-2-yl)-, ethyl ester
SpectraBase Compound ID IOTUR3fvhZr
InChI InChI=1S/C14H24O4/c1-3-5-6-9-14(17-11-12-18-14)10-7-8-13(15)16-4-2/h7-8H,3-6,9-12H2,1-2H3/b8-7+
InChIKey HFASPVVVHXRMSK-BQYQJAHWSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ls31AWAqNkl
Name 2-Butenoic acid, 4-(2-pentyl-1,3-dioxolan-2-yl)-, ethyl ester
Alternate Name(s) ethyl (2E)-4-(2-pentyl-1,3-dioxolan-2-yl)-2-butenoate Ethyl 5,5-(ethylenedioxy)dec-2-enoate
CAS Registry Number 112642-53-2
Comments Less than 3 mono-isotopic peaks
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Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-3-5-6-9-14(17-11-12-18-14)10-7-8-13(15)16-4-2/h7-8H,3-6,9-12H2,1-2H3/b8-7+
InChIKey HFASPVVVHXRMSK-BQYQJAHWSA-N
Molecular Weight 256.342 g/mol
SMILES C1(OCCO1)(C\C=C\C(=O)OCC)CCCCC
SPLASH splash10-0006-0900000000-bd4a2b70a3784ea0dc0a
Source of Spectrum B-40-1856-17
Wiley ID 1259735