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3-Oxo-2-[(2-oxocyclohexyl)phenylmethyl]butyric acid, t-butyl ester
SpectraBase Compound ID 2jDklAUqht0
InChI InChI=1S/C21H28O4/c1-14(22)18(20(24)25-21(2,3)4)19(15-10-6-5-7-11-15)16-12-8-9-13-17(16)23/h5-7,10-11,16,18-19H,8-9,12-13H2,1-4H3
InChIKey APAOGWBXNCBOAL-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xHKMdVGg6b
Name 3-Oxo-2-[(2-oxocyclohexyl)phenylmethyl]butyric acid, t-butyl ester
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Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-14(22)18(20(24)25-21(2,3)4)19(15-10-6-5-7-11-15)16-12-8-9-13-17(16)23/h5-7,10-11,16,18-19H,8-9,12-13H2,1-4H3
InChIKey APAOGWBXNCBOAL-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C1CC(C(CC1)=O)C(c1ccccc1)C(C(=O)OC(C)(C)C)C(=O)C
SPLASH splash10-059l-7920000000-a6e7a821827ff7ead9b4
Synonyms 3-keto-2-[(2-ketocyclohexyl)-phenyl-methyl]butyric acid tert-butyl ester 3-Oxo-2-[(2-oxocyclohexyl)-phenylmethyl]butanoic acid tert-butyl ester tert-Butyl 3-oxidanylidene-2-[(2-oxidanylidenecyclohexyl)-phenyl-methyl]butanoate tert-Butyl 3-oxo-2-[(2-oxocyclohexyl)-phenyl-methyl]butanoate
Wiley ID 1484628