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2-Methyl 1-(phenylmethyl) 4-[2-(1,1-dimethylethoxy)-2-oxoethylidiene]-1,2-pyrrolidinedicarboxylate
SpectraBase Compound ID 1DTj3ouSuA4
InChI InChI=1S/C20H25NO6/c1-20(2,3)27-17(22)11-15-10-16(18(23)25-4)21(12-15)19(24)26-13-14-8-6-5-7-9-14/h5-9,11,16H,10,12-13H2,1-4H3/b15-11+
InChIKey KHQZPTDAHKSKCA-RVDMUPIBSA-N
Mol Weight 375.42 g/mol
Molecular Formula C20H25NO6
Exact Mass 375.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22b83OvH3Mo
Name 2-Methyl 1-(phenylmethyl) 4-[2-(1,1-dimethylethoxy)-2-oxoethylidiene]-1,2-pyrrolidinedicarboxylate
CAS Registry Number 117653-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO6
InChI InChI=1S/C20H25NO6/c1-20(2,3)27-17(22)11-15-10-16(18(23)25-4)21(12-15)19(24)26-13-14-8-6-5-7-9-14/h5-9,11,16H,10,12-13H2,1-4H3/b15-11+
InChIKey KHQZPTDAHKSKCA-RVDMUPIBSA-N
Molecular Weight 375.421 g/mol
SMILES C(N1C(C(=O)OC)C\C(C1)=C/C(OC(C)(C)C)=O)(OCc1ccccc1)=O
SPLASH splash10-03di-0900000000-4b8335dc520cebf3a987
Source of Spectrum J-54-112-7
Synonyms 1-Benzyl 2-methyl (4E)-4-(2-tert-butoxy-2-oxoethylidene)-1,2-pyrrolidinedicarboxylate (4E)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidine-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester 1-O-benzyl 2-O-methyl (4E)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]pyrrolidine-1,2-dicarboxylate O1-benzyl O2-methyl (4E)-4-(2-tert-butoxy-2-oxo-ethylidene)pyrrolidine-1,2-dicarboxylate O2-methyl O1-(phenylmethyl) (4E)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethylidene]pyrrolidine-1,2-dicarboxylate
Wiley ID 1357175