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1-(4-Methylbenzenesulfonate)-3-(4-acetylphenyl)-2-propyne
SpectraBase Compound ID AdyBdUSHxfO
InChI InChI=1S/C18H16O4S/c1-14-5-11-18(12-6-14)23(20,21)22-13-3-4-16-7-9-17(10-8-16)15(2)19/h5-12H,13H2,1-2H3
InChIKey VSMJZYCYBPLSDT-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dh2gFGdKjD
Name 1-(4-Methylbenzenesulfonate)-3-(4-acetylphenyl)-2-propyne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-14-5-11-18(12-6-14)23(20,21)22-13-3-4-16-7-9-17(10-8-16)15(2)19/h5-12H,13H2,1-2H3
InChIKey VSMJZYCYBPLSDT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501980w
Molecular Weight 328.382 g/mol
SMILES c1(ccc(cc1)C(=O)C)C#CCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-08fu-2905000000-c19f1c941134088532ac
Source of Spectrum J-79-10372-1c
Synonyms 3-(4-acetylphenyl)prop-2-yn-1-yl 4-methylbenzenesulfonate
Wiley ID 1755660