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5-keto-2-phenethyl-3-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester
SpectraBase Compound ID EpdRJpyAO2e
InChI InChI=1S/C20H25NO5/c1-5-25-17(23)20(13-11-15-9-7-6-8-10-15)14-12-16(22)21(20)18(24)26-19(2,3)4/h6-10,12,14H,5,11,13H2,1-4H3
InChIKey NULLNSWOOGXUAE-UHFFFAOYSA-N
Mol Weight 359.42 g/mol
Molecular Formula C20H25NO5
Exact Mass 359.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53JJjbcCCMg
Name 5-keto-2-phenethyl-3-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester
Alternate Name(s) 5-Oxo-2-(2-phenylethyl)pyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester 1-O-tert-butyl 2-O-ethyl 5-oxo-2-(2-phenylethyl)pyrrole-1,2-dicarboxylate O1-tert-butyl O2-ethyl 5-oxo-2-(2-phenylethyl)pyrrole-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO5
InChI InChI=1S/C20H25NO5/c1-5-25-17(23)20(13-11-15-9-7-6-8-10-15)14-12-16(22)21(20)18(24)26-19(2,3)4/h6-10,12,14H,5,11,13H2,1-4H3
InChIKey NULLNSWOOGXUAE-UHFFFAOYSA-N
Molecular Weight 359.422 g/mol
SMILES C(N1C(C=CC1=O)(C(=O)OCC)CCc1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-0a4i-9600000000-d54acc6002bf3ee40214
Source of Spectrum F-54-9452-7
Wiley ID 808289