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1-Naphthalenol, 4-(methylthio)-, benzoate
SpectraBase Compound ID INnxhHRwDUE
InChI InChI=1S/C18H14O2S/c1-21-17-12-11-16(14-9-5-6-10-15(14)17)20-18(19)13-7-3-2-4-8-13/h2-12H,1H3
InChIKey HAFQLBFPWUIYIG-UHFFFAOYSA-N
Mol Weight 294.37 g/mol
Molecular Formula C18H14O2S
Exact Mass 294.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2dnnX3wqoK
Name 1-Naphthalenol, 4-(methylthio)-, benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O2S
InChI InChI=1S/C18H14O2S/c1-21-17-12-11-16(14-9-5-6-10-15(14)17)20-18(19)13-7-3-2-4-8-13/h2-12H,1H3
InChIKey HAFQLBFPWUIYIG-UHFFFAOYSA-N
Molecular Weight 294.368 g/mol
SMILES CSc1ccc(OC(=O)c2ccccc2)c2ccccc12
SPLASH splash10-0a4l-3940000000-f8d8ba88f9025ab94bea
Source of Spectrum JX-2015-2-1411
Synonyms 4-(methylthio)naphthalen-1-yl benzoate 4-(methylsulfanyl)naphthalen-1-yl benzoate Benzoic acid [4-(methylthio)-1-naphthalenyl] ester (4-methylsulfanyl-1-naphthyl) benzoate (4-methylsulfanylnaphthalen-1-yl) benzoate
Wiley ID 1723054