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1-Ethanone, 1-(3,4-dimethoxyphenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID BwjYgHemsgY
InChI InChI=1S/C27H27N3O4S/c1-19-9-7-8-12-23(19)34-17-26-28-29-27(30(26)16-20-10-5-4-6-11-20)35-18-22(31)21-13-14-24(32-2)25(15-21)33-3/h4-15H,16-18H2,1-3H3
InChIKey BVTMYIYEIGPIEI-UHFFFAOYSA-N
Mol Weight 489.59 g/mol
Molecular Formula C27H27N3O4S
Exact Mass 489.172228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8jo998oW8e
Name 1-Ethanone, 1-(3,4-dimethoxyphenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-
Alternate Name(s) 2-{[4-benzyl-5-(2-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethan-1-one 1-(3,4-dimethoxyphenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone 2-[[4-benzyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone 1-(3,4-dimethoxyphenyl)-2-[[5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Formula C27H27N3O4S
InChI InChI=1S/C27H27N3O4S/c1-19-9-7-8-12-23(19)34-17-26-28-29-27(30(26)16-20-10-5-4-6-11-20)35-18-22(31)21-13-14-24(32-2)25(15-21)33-3/h4-15H,16-18H2,1-3H3
InChIKey BVTMYIYEIGPIEI-UHFFFAOYSA-N
Molecular Weight 489.590 g/mol
SMILES c1c(c(ccc1)OCc1[n](c(SCC(=O)c2cc(c(cc2)OC)OC)nn1)Cc1ccccc1)C
SPLASH splash10-029x-8839000000-4a4075eb6a65d191ed2e
Source of Spectrum IY-2-5029-8
Wiley ID 1658281