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4-FORMYLOXY-4-METHYL-7-OXOOCT-2(Z)-ENOIC-ACID-ETHYLESTER
SpectraBase Compound ID 4rsKhmzTohu
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-VURMDHGXSA-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 8UkiDBwCqeI
Name (Z)-4-formyloxy-4-methyl-7-oxo-2-octenoic acid ethyl ester
Alternate Name(s) (Z)-4-formyloxy-7-keto-4-methyl-oct-2-enoic acid ethyl ester Ethyl (Z)-4-formyloxy-4-methyl-7-oxo-oct-2-enoate Ethyl (Z)-4-methanoyloxy-4-methyl-7-oxidanylidene-oct-2-enoate
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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-VURMDHGXSA-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
Wiley ID 1244845