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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zwdbkpbmXp
Name 3-Benzyl-5-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)-ethyl]-4-methyl-thiazol-3-ium
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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 c1cccc(c1)C[n+]1c(c(sc1)CCOC(=O)[C@@]1(C[C@]2(C[C@@]1(C=C2)[H])[H])[H])C
SPLASH splash10-00ou-9300000000-c382ea3475eda710d0ac
Source of Spectrum AD-0-2532-0
Synonyms 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl bicyclo[2.2.1]hept-2-ene-5-carboxylate 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl bicyclo[2.2.1]hept-2-ene-5-carboxylate 2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl bicyclo[2.2.1]hept-2-ene-5-carboxylate 5-bicyclo[2.2.1]hept-2-enecarboxylic acid 2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl ester bicyclo[2.2.1]hept-2-ene-5-carboxylic acid 2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl ester
Wiley ID 1426554