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2-Butanone, 3,3-dimethyl-1-(4-phenylbutoxy)-1-(1H-1,2,4-triazol-1-yl)-

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2-Butanone, 3,3-dimethyl-1-(4-phenylbutoxy)-1-(1H-1,2,4-triazol-1-yl)-
SpectraBase Compound ID DsSKFpUtb6j
InChI InChI=1S/C18H25N3O2/c1-18(2,3)16(22)17(21-14-19-13-20-21)23-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3
InChIKey NCZDBHLEORVDEV-UHFFFAOYSA-N
Mol Weight 315.42 g/mol
Molecular Formula C18H25N3O2
Exact Mass 315.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mD6GeDK5At
Name 2-Butanone, 3,3-dimethyl-1-(4-phenylbutoxy)-1-(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 315.194677055 u
Formula C18H25N3O2
InChI InChI=1S/C18H25N3O2/c1-18(2,3)16(22)17(21-14-19-13-20-21)23-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3
InChIKey NCZDBHLEORVDEV-UHFFFAOYSA-N
Molecular Weight 315.417 g/mol
SMILES C(C(C(OCCCCC1=CC=CC=C1)N1N=CN=C1)=O)(C)(C)C