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(3S,5S)-S-Ethyl 3,5-dimethyl-7-phenylheptanethioate
SpectraBase Compound ID Aguo9LyUAkp
InChI InChI=1S/C17H26OS/c1-4-19-17(18)13-15(3)12-14(2)10-11-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3/t14-,15-/m0/s1
InChIKey RUZATMAHJFCWSG-GJZGRUSLSA-N
Mol Weight 278.45 g/mol
Molecular Formula C17H26OS
Exact Mass 278.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID s3y1EuwZgO
Name (3S,5S)-S-Ethyl 3,5-dimethyl-7-phenylheptanethioate
Comments Less than 3 mono-isotopic peaks
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Formula C17H26OS
InChI InChI=1S/C17H26OS/c1-4-19-17(18)13-15(3)12-14(2)10-11-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3/t14-,15-/m0/s1
InChIKey RUZATMAHJFCWSG-GJZGRUSLSA-N
Molecular Weight 278.454 g/mol
SMILES C(=O)(C[C@](C[C@](CCc1ccccc1)(C)[H])(C)[H])SCC
SPLASH splash10-0006-9010000000-2dd6132a78b54973fedc
Source of Spectrum QC-21-1583-22d
Wiley ID 1688424