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2-Benzyl-3-phenacyl-succinic acid dimethyl ester
SpectraBase Compound ID 5YK2ZVjFz2K
InChI InChI=1S/C21H22O5/c1-25-20(23)17(13-15-9-5-3-6-10-15)18(21(24)26-2)14-19(22)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKey BNKUCLLBOKQEFR-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qpoJq3uEDs
Name 2-Benzyl-3-phenacyl-succinic acid dimethyl ester
Alternate Name(s) 2-Phenacyl-3-(phenylmethyl)butanedioic acid dimethyl ester Dimethyl 2-benzyl-3-phenacyl-butanedioate Dimethyl 2-phenacyl-3-(phenylmethyl)butanedioate
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Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-25-20(23)17(13-15-9-5-3-6-10-15)18(21(24)26-2)14-19(22)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKey BNKUCLLBOKQEFR-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES C(C(C(=O)OC)Cc1ccccc1)(CC(=O)c1ccccc1)C(=O)OC
SPLASH splash10-052o-6900000000-501123000a29e5f1a59f
Source of Spectrum AJ-67-601-7
Wiley ID 772514