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2-[(7E)-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID G2yThJqvFrk
InChI InChI=1S/C27H27N3O2S/c1-3-32-26(31)25-18(2)28-27(33-25)30-24(20-13-8-5-9-14-20)22-16-10-15-21(23(22)29-30)17-19-11-6-4-7-12-19/h4-9,11-14,17,22,24H,3,10,15-16H2,1-2H3/b21-17+
InChIKey WYHFCMBYQZTXLQ-HEHNFIMWSA-N
Mol Weight 457.59 g/mol
Molecular Formula C27H27N3O2S
Exact Mass 457.182398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjC4bZIwtIJ
Name 2-[(7E)-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester
Alternate Name(s) 4-Methyl-2-[(7E)-3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-5-thiazolecarboxylic acid ethyl ester Ethyl 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate Ethyl 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-methyl-thiazole-5-carboxylate Ethyl 4-methyl-2-[(7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazole-5-carboxylate
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Formula C27H27N3O2S
InChI InChI=1S/C27H27N3O2S/c1-3-32-26(31)25-18(2)28-27(33-25)30-24(20-13-8-5-9-14-20)22-16-10-15-21(23(22)29-30)17-19-11-6-4-7-12-19/h4-9,11-14,17,22,24H,3,10,15-16H2,1-2H3/b21-17+
InChIKey WYHFCMBYQZTXLQ-HEHNFIMWSA-N
Molecular Weight 457.592 g/mol
SMILES c1(\C=C\2C=3C(CCC2)C(c2ccccc2)N(c2sc(c(n2)C)C(OCC)=O)N3)ccccc1
SPLASH splash10-015c-3910000000-9cd768bd54ce6623177c
Wiley ID 1463792