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2-Propenethioic acid, 3-[(1,1-dimethylethyl)thio]-, S-phenyl ester, (Z)-
SpectraBase Compound ID 2bIgrMWPbdZ
InChI InChI=1S/C13H16OS2/c1-13(2,3)15-10-9-12(14)16-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9-
InChIKey UJPFPUKOOBIOCW-KTKRTIGZSA-N
Mol Weight 252.39 g/mol
Molecular Formula C13H16OS2
Exact Mass 252.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cVmRjqE7C2
Name 2-Propenethioic acid, 3-[(1,1-dimethylethyl)thio]-, S-phenyl ester, (Z)-
CAS Registry Number 120454-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c1-13(2,3)15-10-9-12(14)16-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9-
InChIKey UJPFPUKOOBIOCW-KTKRTIGZSA-N
Molecular Weight 252.390 g/mol
SMILES C(\C=C/SC(C)(C)C)(Sc1ccccc1)=O
SPLASH splash10-0a4u-9400000000-7beee94142e7be04b058
Source of Spectrum B-41-888-6
Synonyms S-phenyl (2Z)-3-(tert-butylsulfanyl)-2-propenethioate S-phenyl 3-(t-butylthio)propenethioate (Z)-3-(tert-butylthio)-2-propenethioic acid S-phenyl ester S-phenyl (Z)-3-tert-butylsulfanylprop-2-enethioate
Wiley ID 1255285