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1-(Cyclohexylamino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)propanoate
SpectraBase Compound ID BCcioLN2bnk
InChI InChI=1S/C20H31N3O4S/c1-5-9-15-12-16(24)23-19(22-15)28-13(2)17(25)27-20(3,4)18(26)21-14-10-7-6-8-11-14/h12-14H,5-11H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKey CWZXAGXVSAEYTN-UHFFFAOYSA-N
Mol Weight 409.55 g/mol
Molecular Formula C20H31N3O4S
Exact Mass 409.203528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6eKa1TYotC
Name 1-(Cyclohexylamino)-2-methyl-1-oxopropan-2-yl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)propanoate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N3O4S
InChI InChI=1S/C20H31N3O4S/c1-5-9-15-12-16(24)23-19(22-15)28-13(2)17(25)27-20(3,4)18(26)21-14-10-7-6-8-11-14/h12-14H,5-11H2,1-4H3,(H,21,26)(H,22,23,24)
InChIKey CWZXAGXVSAEYTN-UHFFFAOYSA-N
Instrument Name Finnigan MAT-8430
Ionization Type EI
Literature Reference DOI 10.1002/jccs.201800209
Molecular Weight 409.545 g/mol
SMILES N1C(SC(C(OC(C(=O)NC2CCCCC2)(C)C)=O)C)=NC(=O)C=C1CCC
SPLASH splash10-0a7j-9840000000-2ff882bd5eab67ebb610
Source of Spectrum QA-66-1378-5f
Wiley ID 1838600