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1-[2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
SpectraBase Compound ID CarTCm11s42
InChI InChI=1S/C21H25N3O2S/c1-4-26-16-11-9-15(10-12-16)19-17-7-5-6-8-18(17)23-24(19)21-22-13(2)20(27-21)14(3)25/h9-12,17,19H,4-8H2,1-3H3
InChIKey IKIVPWYLLJCLOA-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C21H25N3O2S
Exact Mass 383.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaRhWYT2xxm
Name 1-[2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
Alternate Name(s) 1-[2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-5-thiazolyl]ethanone 1-[4-methyl-2-(3-p-phenetyl-3,3a,4,5,6,7-hexahydroindazol-2-yl)thiazol-5-yl]ethanone 1-{2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazol-5-yl}ethanone
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Formula C21H25N3O2S
InChI InChI=1S/C21H25N3O2S/c1-4-26-16-11-9-15(10-12-16)19-17-7-5-6-8-18(17)23-24(19)21-22-13(2)20(27-21)14(3)25/h9-12,17,19H,4-8H2,1-3H3
InChIKey IKIVPWYLLJCLOA-UHFFFAOYSA-N
Molecular Weight 383.510 g/mol
SMILES C1C2=NN(C(c3ccc(OCC)cc3)C2CCC1)c1sc(c(n1)C)C(C)=O
SPLASH splash10-00lr-4924000000-4459ca6a1fd42d2d553b
Wiley ID 1453240