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1-(Cyclohexylcarbamoyl)cyclohexyl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate
SpectraBase Compound ID IRvO1zPAsQY
InChI InChI=1S/C22H33N3O4S/c1-2-9-17-14-18(26)25-21(24-17)30-15-19(27)29-22(12-7-4-8-13-22)20(28)23-16-10-5-3-6-11-16/h14,16H,2-13,15H2,1H3,(H,23,28)(H,24,25,26)
InChIKey XBVMAENMUBKQCS-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C22H33N3O4S
Exact Mass 435.219178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YlxqrzZhMv
Name 1-(Cyclohexylcarbamoyl)cyclohexyl 2-([4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl]thio)acetate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33N3O4S
InChI InChI=1S/C22H33N3O4S/c1-2-9-17-14-18(26)25-21(24-17)30-15-19(27)29-22(12-7-4-8-13-22)20(28)23-16-10-5-3-6-11-16/h14,16H,2-13,15H2,1H3,(H,23,28)(H,24,25,26)
InChIKey XBVMAENMUBKQCS-UHFFFAOYSA-N
Instrument Name Finnigan MAT-8430
Ionization Type EI
Literature Reference DOI 10.1002/jccs.201800209
Molecular Weight 435.583 g/mol
SMILES N1C(SCC(OC2(C(=O)NC3CCCCC3)CCCCC2)=O)=NC(=O)C=C1CCC
SPLASH splash10-0c0r-9280000000-c2f9e3b26baf71272f40
Source of Spectrum QA-66-1378-5d
Wiley ID 1838598