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4-(tert-butoxycarbonyl)-1-(2-(methylthio)propanoyl)piperazine-2-carboxylic acid
SpectraBase Compound ID DKCaVnrPyoR
InChI InChI=1S/C14H24N2O5S/c1-9(22-5)11(17)16-7-6-15(8-10(16)12(18)19)13(20)21-14(2,3)4/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKey CHLPOKKBNCSINI-UHFFFAOYSA-N
Mol Weight 332.42 g/mol
Molecular Formula C14H24N2O5S
Exact Mass 332.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mScer5BfvV
Name 4-(tert-butoxycarbonyl)-1-(2-(methylthio)propanoyl)piperazine-2-carboxylic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24N2O5S
InChI InChI=1S/C14H24N2O5S/c1-9(22-5)11(17)16-7-6-15(8-10(16)12(18)19)13(20)21-14(2,3)4/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKey CHLPOKKBNCSINI-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 332.415 g/mol
SMILES OC(C1CN(C(OC(C)(C)C)=O)CCN1C(C(C)SC)=O)=O
SPLASH splash10-0a6r-9000000000-b7d791b8755195d54dd3
Source of Spectrum WO2021074281A1
Wiley ID 1880031