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Benzenemethanol, .alpha.-[1-(phenylthio)propylidene]-, acetate, (E)-
SpectraBase Compound ID 8IJbAOjmbzX
InChI InChI=1S/C18H18O2S/c1-3-17(21-16-12-8-5-9-13-16)18(20-14(2)19)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3/b18-17+
InChIKey CMOIZDGZUMWHPS-ISLYRVAYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C18H18O2S
Exact Mass 298.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTK3JFQdqWW
Name Benzenemethanol, .alpha.-[1-(phenylthio)propylidene]-, acetate, (E)-
Alternate Name(s) (1E)-1-phenyl-2-(phenylsulfanyl)-1-butenyl acetate (E)-1-Acetoxy-1-phenyl-2-phenylthiobut-1-ene
CAS Registry Number 123630-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O2S
InChI InChI=1S/C18H18O2S/c1-3-17(21-16-12-8-5-9-13-16)18(20-14(2)19)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3/b18-17+
InChIKey CMOIZDGZUMWHPS-ISLYRVAYSA-N
Molecular Weight 298.400 g/mol
SMILES c1(S\C(=C/(OC(=O)C)c2ccccc2)CC)ccccc1
SPLASH splash10-0a4i-5920000000-8c15991a87c35a53b76c
Source of Spectrum KC-1989-1116-2
Wiley ID 1301052