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3-Oxo-2-[(2-oxocyclohexyl)phenylmethyl]butyric acid, t-butyl ester

View entire compound with spectra: 2 MS (GC)

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 DgbQ7dh5ofy
Name 3-OXO-2-[(2-OXOCYCLOHEXYL)PHENYLMETHYL]BUTYRIC ACID, tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 344.1980
SMILES C1CCC(C(C(C(C)=O)C(OC(C)(C)C)=O)c2ccccc2)C(=O)C1
SPLASH splash10-059l-7920000000-4ff7a84bf11f192e63e4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany