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(E)-methyl 1-acetyl-2-benzylidene-cyclopentanecarboxylate

View entire compound with spectra: 2 MS (GC)

(E)-methyl 1-acetyl-2-benzylidene-cyclopentanecarboxylate
SpectraBase Compound ID L2nlw5dvPSG
InChI InChI=1S/C16H18O3/c1-12(17)16(15(18)19-2)10-6-9-14(16)11-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3/b14-11+
InChIKey QCOBFIYQHIOVHH-SDNWHVSQSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AsDk3XJ2Ay
Name (2E)-1-acetyl-2-(phenylmethylene)-1-cyclopentanecarboxylic acid methyl ester
Alternate Name(s) (2E)-1-acetyl-2-benzal-cyclopentanecarboxylic acid methyl ester Methyl (2E)-1-acetyl-2-benzylidene-cyclopentanecarboxylate Methyl (2E)-1-acetyl-2-benzylidenecyclopentane-1-carboxylate Methyl (2E)-1-ethanoyl-2-(phenylmethylidene)cyclopentane-1-carboxylate
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Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-12(17)16(15(18)19-2)10-6-9-14(16)11-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3/b14-11+
InChIKey QCOBFIYQHIOVHH-SDNWHVSQSA-N
Molecular Weight 258.317 g/mol
SMILES C1(\C(=C\c2ccccc2)CCC1)(C(=O)OC)C(=O)C
SPLASH splash10-001i-3920000000-b5f7ae4970c53e62ad2c
Source of Spectrum F-47-6302-9
Wiley ID 1262068