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4-Piperidinebutanoic acid, .alpha.-(2-nitrophenyl)-.beta.-oxo-1-(phenylmethyl)-, methyl ester, (.+-.)-
SpectraBase Compound ID 56CY8BHgeOf
InChI InChI=1S/C23H26N2O5/c1-30-23(27)22(19-9-5-6-10-20(19)25(28)29)21(26)15-17-11-13-24(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,22H,11-16H2,1H3
InChIKey ZHVCGXULBVAXCC-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C23H26N2O5
Exact Mass 410.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDZfcTfD4Qa
Name 4-Piperidinebutanoic acid, .alpha.-(2-nitrophenyl)-.beta.-oxo-1-(phenylmethyl)-, methyl ester, (.+-.)-
CAS Registry Number 116787-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O5
InChI InChI=1S/C23H26N2O5/c1-30-23(27)22(19-9-5-6-10-20(19)25(28)29)21(26)15-17-11-13-24(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,22H,11-16H2,1H3
InChIKey ZHVCGXULBVAXCC-UHFFFAOYSA-N
Molecular Weight 410.470 g/mol
SMILES C(c1c(N(=O)=O)cccc1)(C(CC1CCN(CC1)Cc1ccccc1)=O)C(=O)OC
SPLASH splash10-0006-9100000000-ca6940cdf3cbba06dfd6
Source of Spectrum F-44-2090-2
Synonyms Methyl 1-buzyl-.alpha.-(o-nitrophenyl)-4-piperidineacetoacetate Methyl 4-(1-benzyl-4-piperidinyl)-2-(2-nitrophenyl)-3-oxobutanoate
Wiley ID 1373669