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tert-Butyl 2-(benzylthio)acetate
SpectraBase Compound ID 2I6MLiKGwKi
InChI InChI=1S/C13H18O2S/c1-13(2,3)15-12(14)10-16-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey IKOVHYUZRSZDRL-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PrYDQJEgq
Name tert-Butyl 2-(benzylthio)acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-13(2,3)15-12(14)10-16-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey IKOVHYUZRSZDRL-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.17.24
Molecular Weight 238.345 g/mol
Reported Formula C13H18O2S
SMILES c1cccc(c1)CSCC(OC(C)(C)C)=O
SPLASH splash10-0a5c-9300000000-199053bffcb7986a29d7
Source of Spectrum BJO-17-SM6-3n
Wiley ID 1858437