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Methyl 2-[3-(Ethoxycarbonyl)bicyclo[3.1.0]hex-1-yl]propenoate
SpectraBase Compound ID 3SAyuxaOYUl
InChI InChI=1S/C13H18O4/c1-4-17-12(15)9-5-10-7-13(10,6-9)8(2)11(14)16-3/h9-10H,2,4-7H2,1,3H3
InChIKey JKCAXMLEYOFWPE-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kElihSVyVX
Name Methyl 2-[3-(Ethoxycarbonyl)bicyclo[3.1.0]hex-1-yl]propenoate
Alternate Name(s) Ethyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)bicyclo[3.1.0]hexane-3-carboxylate 1-(3-Methoxy-3-oxoprop-1-en-2-yl)-3-bicyclo[3.1.0]hexanecarboxylic acid ethyl ester Ethyl 1-(1-methoxycarbonylvinyl)bicyclo[3.1.0]hexane-3-carboxylate Ethyl 1-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)bicyclo[3.1.0]hexane-3-carboxylate
Comments Edited after expert review for CCl4 contamination - Original record with SpectrumID 1765013 moved to the Legacy library
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-4-17-12(15)9-5-10-7-13(10,6-9)8(2)11(14)16-3/h9-10H,2,4-7H2,1,3H3
InChIKey JKCAXMLEYOFWPE-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C(C(=C)C12CC(CC1C2)C(=O)OCC)(=O)OC
SPLASH splash10-0a4i-3910000000-859d9bcf891bc5c885bd
Source of Spectrum ASC-348-2133/SM8-2d
Wiley ID 1821460