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(isopropylthio)methanethioic acid O-(1-benzylbutyl) ester
SpectraBase Compound ID JcstQEdsoDk
InChI InChI=1S/C15H22OS2/c1-4-8-14(16-15(17)18-12(2)3)11-13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3
InChIKey KONMWMTVCMLWRJ-UHFFFAOYSA-N
Mol Weight 282.46 g/mol
Molecular Formula C15H22OS2
Exact Mass 282.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 414EjGjyFjv
Name (isopropylthio)methanethioic acid O-(1-benzylbutyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS2
InChI InChI=1S/C15H22OS2/c1-4-8-14(16-15(17)18-12(2)3)11-13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3
InChIKey KONMWMTVCMLWRJ-UHFFFAOYSA-N
Molecular Weight 282.460 g/mol
SMILES C(=S)(SC(C)C)OC(Cc1ccccc1)CCC
SPLASH splash10-0006-9500000000-d0bed60db51dc8b9e9ff
Source of Spectrum AJ-73-477-2
Synonyms (propan-2-ylthio)methanethioic acid O-(1-phenylpentan-2-yl) ester O-(1-benzylbutyl) isopropylsulfanylmethanethioate O-(1-phenylpentan-2-yl) propan-2-ylsulfanylmethanethioate
Wiley ID 775301