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Isobutyl 2-oxo-1-(3-oxobutyl)cycloheptanecarboxylate

View entire compound with spectra: 1 MS (GC)

Isobutyl 2-oxo-1-(3-oxobutyl)cycloheptanecarboxylate
SpectraBase Compound ID JOT6bmT3ZRL
InChI InChI=1S/C16H26O4/c1-12(2)11-20-15(19)16(10-8-13(3)17)9-6-4-5-7-14(16)18/h12H,4-11H2,1-3H3
InChIKey DCHLRYHRWYVTNJ-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R80B5d4G32
Name Isobutyl 2-oxo-1-(3-oxobutyl)cycloheptanecarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-12(2)11-20-15(19)16(10-8-13(3)17)9-6-4-5-7-14(16)18/h12H,4-11H2,1-3H3
InChIKey DCHLRYHRWYVTNJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_546
Molecular Weight 282.380 g/mol
SMILES C(CC(=O)C)C1(C(=O)OCC(C)C)CCCCCC1=O
SPLASH splash10-0pba-9730000000-192fc58f9af77a66e717
Source of Spectrum JF-342-551-3h
Wiley ID 1767023