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Methyl 1-(3,5-dimethylbenzyl)-2-oxocyclopentanecarboxylate
SpectraBase Compound ID BOTIdGIrsRQ
InChI InChI=1S/C16H20O3/c1-11-7-12(2)9-13(8-11)10-16(15(18)19-3)6-4-5-14(16)17/h7-9H,4-6,10H2,1-3H3
InChIKey HRXSXQWZJSGNBR-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KE8z8gGAyD
Name Methyl 1-(3,5-dimethylbenzyl)-2-oxocyclopentanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-11-7-12(2)9-13(8-11)10-16(15(18)19-3)6-4-5-14(16)17/h7-9H,4-6,10H2,1-3H3
InChIKey HRXSXQWZJSGNBR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200600355
Molecular Weight 260.333 g/mol
SMILES C1(Cc2cc(cc(c2)C)C)(C(=O)CCC1)C(=O)OC
SPLASH splash10-00mo-1910000000-5ca89e6abe32629b3cfa
Source of Spectrum ASC-349-432/SM12-23e
Wiley ID 1765475