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6-Methyl-6-(phenylthio)heptyl acetate

View entire compound with spectra: 1 MS (GC)

6-Methyl-6-(phenylthio)heptyl acetate
SpectraBase Compound ID 6F2MBg5eGyF
InChI InChI=1S/C16H24O2S/c1-14(17)18-13-9-5-8-12-16(2,3)19-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3
InChIKey HGNWTZGEFMLGKL-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gxx8WYZvWkJ
Name 6-Methyl-6-(phenylthio)heptyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-14(17)18-13-9-5-8-12-16(2,3)19-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3
InChIKey HGNWTZGEFMLGKL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol300450j
Molecular Weight 280.426 g/mol
SMILES C(Sc1ccccc1)(C)(C)CCCCCOC(C)=O
SPLASH splash10-03di-6910000000-f5d0ca7368452133219e
Source of Spectrum A1-14-1846/SMS24-3ra
Wiley ID 1750155