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Tert-Butyle 2-{[2-(hydroxymethyl)phenyl]sulfanyl}acetate
SpectraBase Compound ID Ax48DmnzXku
InChI InChI=1S/C13H18O3S/c1-13(2,3)16-12(15)9-17-11-7-5-4-6-10(11)8-14/h4-7,14H,8-9H2,1-3H3
InChIKey PGMPPEVXAQCZSQ-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ohB2MaCgBM
Name Tert-Butyle 2-{[2-(hydroxymethyl)phenyl]sulfanyl}acetate
Alternate Name(s) tert-Butyl 2-((2-(hydroxymethyl)phenyl)thio)acetate
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-13(2,3)16-12(15)9-17-11-7-5-4-6-10(11)8-14/h4-7,14H,8-9H2,1-3H3
InChIKey PGMPPEVXAQCZSQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 254.344 g/mol
SMILES OCc1c(SCC(=O)OC(C)(C)C)cccc1
SPLASH splash10-0a4i-8900000000-9573ebd48ef54a7a6e40
Source of Spectrum A1-15-3876/SMS10-19b
Wiley ID 1748950