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4-(2-Phenyl-1,3-dithian-2-yl)-butanoic acid

View entire compound with spectra: 1 MS (GC)

4-(2-Phenyl-1,3-dithian-2-yl)-butanoic acid
SpectraBase Compound ID 8hwLN8A8lFc
InChI InChI=1S/C14H18O2S2/c15-13(16)8-4-9-14(17-10-5-11-18-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)
InChIKey TUTOYDFXHKDNNJ-UHFFFAOYSA-N
Mol Weight 282.42 g/mol
Molecular Formula C14H18O2S2
Exact Mass 282.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pm9Kh0KBsr
Name 4-(2-Phenyl-1,3-dithian-2-yl)-butanoic acid
Alternate Name(s) 4-(2-phenyl-1,3-dithian-2-yl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S2
InChI InChI=1S/C14H18O2S2/c15-13(16)8-4-9-14(17-10-5-11-18-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)
InChIKey TUTOYDFXHKDNNJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100455
Molecular Weight 282.416 g/mol
SMILES OC(CCCC1(SCCCS1)c1ccccc1)=O
SPLASH splash10-0092-3910000000-f8e7c9b76b9a9017c370
Source of Spectrum APC-345-660-5a
Wiley ID 1769407