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4-FORMYLOXY-4-METHYL-7-OXOOCT-2(E)-ENOIC-ACID-ETHYLESTER
SpectraBase Compound ID AVhdxxqifIm
InChI InChI=1S/C12H18O5/c1-4-16-11(15)6-8-12(3,17-9-13)7-5-10(2)14/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey HXMHWPNZHDKHPP-SOFGYWHQSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O5RsYax4Au
Name (E)-4-formyloxy-4-methyl-7-oxo-2-octenoic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-4-16-11(15)6-8-12(3,17-9-13)7-5-10(2)14/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey HXMHWPNZHDKHPP-SOFGYWHQSA-N
Molecular Weight 242.271 g/mol
SMILES C(\C=C\C(OC=O)(CCC(=O)C)C)(=O)OCC
SPLASH splash10-0f6x-9600000000-3692cae4a5716a5774f6
Source of Spectrum J-58-3170-2
Synonyms (E)-4-formyloxy-7-keto-4-methyl-oct-2-enoic acid ethyl ester Ethyl (E)-4-formyloxy-4-methyl-7-oxo-oct-2-enoate Ethyl (E)-4-methanoyloxy-4-methyl-7-oxidanylidene-oct-2-enoate
Wiley ID 1244846