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2-Isopropyl-5-methylcyclohexyl [(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetate

View entire compound with spectra: 2 NMR

2-Isopropyl-5-methylcyclohexyl [(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetate
SpectraBase Compound ID CY69F7axrNE
InChI InChI=1S/C17H26N2O3S/c1-10(2)13-6-5-11(3)7-14(13)22-16(21)9-23-17-18-12(4)8-15(20)19-17/h8,10-11,13-14H,5-7,9H2,1-4H3,(H,18,19,20)
InChIKey WFBDPGPOKYUMOD-UHFFFAOYSA-N
Mol Weight 338.47 g/mol
Molecular Formula C17H26N2O3S
Exact Mass 338.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOHotYza9ck
Name 2-Isopropyl-5-methylcyclohexyl [(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.166413876 u
Formula C17H26N2O3S
InChI InChI=1S/C17H26N2O3S/c1-10(2)13-6-5-11(3)7-14(13)22-16(21)9-23-17-18-12(4)8-15(20)19-17/h8,10-11,13-14H,5-7,9H2,1-4H3,(H,18,19,20)
InChIKey WFBDPGPOKYUMOD-UHFFFAOYSA-N
Molecular Weight 338.466 g/mol
SMILES N1C(C=C(N=C1SCC(OC1C(CCC(C1)C)C(C)C)=O)C)=O