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1-Propanone, 3-cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-

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1-Propanone, 3-cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID LRuPxYsH8PV
InChI InChI=1S/C16H25N3O3/c1-16(8-21-12-22-9-16)15(20)14(19-11-17-10-18-19)7-13-5-3-2-4-6-13/h10-11,13-14H,2-9,12H2,1H3
InChIKey RQIWXMIFSXLXOV-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C16H25N3O3
Exact Mass 307.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SAZC9c8B4J
Name 1-Propanone, 3-cyclohexyl-1-(5-methyl-1,3-dioxan-5-yl)-2-(1H-1,2,4-triazol-1-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.189591674 u
Formula C16H25N3O3
InChI InChI=1S/C16H25N3O3/c1-16(8-21-12-22-9-16)15(20)14(19-11-17-10-18-19)7-13-5-3-2-4-6-13/h10-11,13-14H,2-9,12H2,1H3
InChIKey RQIWXMIFSXLXOV-UHFFFAOYSA-N
Molecular Weight 307.394 g/mol
SMILES C1C(CCCC1)CC(C(C1(COCOC1)C)=O)N1C=NC=N1