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Methyl 4-methyl-5-(2-bromoethyl)-2-(4-ethylphenylsulfanyl)-6-phenylbenzoate
SpectraBase Compound ID CHJk0nlV3io
InChI InChI=1S/C25H25BrO2S/c1-4-18-10-12-20(13-11-18)29-22-16-17(2)21(14-15-26)23(24(22)25(27)28-3)19-8-6-5-7-9-19/h5-13,16H,4,14-15H2,1-3H3
InChIKey VYMHIJFTNLCYHG-UHFFFAOYSA-N
Mol Weight 469.44 g/mol
Molecular Formula C25H25BrO2S
Exact Mass 468.075864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DH7rTHwaQy
Name Methyl 4-methyl-5-(2-bromoethyl)-2-(4-ethylphenylsulfanyl)-6-phenylbenzoate
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Formula C25H25BrO2S
InChI InChI=1S/C25H25BrO2S/c1-4-18-10-12-20(13-11-18)29-22-16-17(2)21(14-15-26)23(24(22)25(27)28-3)19-8-6-5-7-9-19/h5-13,16H,4,14-15H2,1-3H3
InChIKey VYMHIJFTNLCYHG-UHFFFAOYSA-N
Molecular Weight 469.437 g/mol
SMILES c1(c(c(CCBr)c(cc1Sc1ccc(cc1)CC)C)-c1ccccc1)C(=O)OC
SPLASH splash10-01b9-0042900000-c65c20cdc48c38b8c4cc
Source of Spectrum F-65-7571-8u
Wiley ID 1680404