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3-Benzyl-5-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)-ethyl]-4-methyl-thiazol-3-ium
SpectraBase Compound ID IeEJnvH8Q7r
InChI InChI=1S/C21H24NO2S/c1-15-20(25-14-22(15)13-16-5-3-2-4-6-16)9-10-24-21(23)19-12-17-7-8-18(19)11-17/h2-8,14,17-19H,9-13H2,1H3/q+1/t17-,18+,19-/m1/s1
InChIKey CFZYAXKAEPJHSS-CEXWTWQISA-N
Mol Weight 354.49 g/mol
Molecular Formula C21H24NO2S
Exact Mass 354.152775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWof0OHAGip
Name 3-Benzyl-5-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)-ethyl]-4-methyl-thiazol-3-ium
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.152775189 u
Formula C21H24NO2S
InChI InChI=1S/C21H24NO2S/c1-15-20(25-14-22(15)13-16-5-3-2-4-6-16)9-10-24-21(23)19-12-17-7-8-18(19)11-17/h2-8,14,17-19H,9-13H2,1H3/q+1/t17-,18+,19-/m1/s1
InChIKey CFZYAXKAEPJHSS-CEXWTWQISA-N
Molecular Weight 354.488 g/mol
SMILES C1=CC=CC(=C1)C[N+]=1C(=C(SC1)CCOC([C@]1([C@]2(C=C[C@](C2)(C1)[H])[H])[H])=O)C