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3-Piperidinecarboxylic acid, 1-[2-[[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-, ethyl ester

View entire compound with spectra: 1 MS (GC)

3-Piperidinecarboxylic acid, 1-[2-[[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-, ethyl ester
SpectraBase Compound ID AiFmSc0uRH6
InChI InChI=1S/C21H30N2O5S/c1-3-27-20(25)14-8-7-11-23(12-14)13-17(24)22-19-18(21(26)28-4-2)15-9-5-6-10-16(15)29-19/h14H,3-13H2,1-2H3,(H,22,24)
InChIKey NTMHOZMLZDOMDI-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C21H30N2O5S
Exact Mass 422.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Un88oKykra
Name 3-Piperidinecarboxylic acid, 1-[2-[[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O5S
InChI InChI=1S/C21H30N2O5S/c1-3-27-20(25)14-8-7-11-23(12-14)13-17(24)22-19-18(21(26)28-4-2)15-9-5-6-10-16(15)29-19/h14H,3-13H2,1-2H3,(H,22,24)
InChIKey NTMHOZMLZDOMDI-UHFFFAOYSA-N
Molecular Weight 422.540 g/mol
SMILES N(C(CN1CC(CCC1)C(OCC)=O)=O)c1c(c2CCCCc2s1)C(OCC)=O
SPLASH splash10-00di-1910300000-303d77fd197081772043
Source of Spectrum IY-1-4503-4
Synonyms 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester Ethyl 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate Ethyl 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]piperidine-3-carboxylate Ethyl 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate
Wiley ID 1653017