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2-[(3'-Benzyloxy-4'-methoxyphenyl)thio]benzoic acid
SpectraBase Compound ID K7FcXsbySsG
InChI InChI=1S/C21H18O4S/c1-24-18-12-11-16(26-20-10-6-5-9-17(20)21(22)23)13-19(18)25-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,23)
InChIKey VMXGZISIZFIVEG-UHFFFAOYSA-N
Mol Weight 366.43 g/mol
Molecular Formula C21H18O4S
Exact Mass 366.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPnIz5To4rJ
Name 2-[(3'-Benzyloxy-4'-methoxyphenyl)thio]benzoic acid
Alternate Name(s) 2-{[3-(benzyloxy)-4-methoxyphenyl]sulfanyl}benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4S
InChI InChI=1S/C21H18O4S/c1-24-18-12-11-16(26-20-10-6-5-9-17(20)21(22)23)13-19(18)25-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,23)
InChIKey VMXGZISIZFIVEG-UHFFFAOYSA-N
Molecular Weight 366.431 g/mol
SMILES OC(c1c(Sc2cc(OCc3ccccc3)c(cc2)OC)cccc1)=O
SPLASH splash10-0006-9100000000-a0615be81bafcdd7c6ca
Source of Spectrum G-56-466-0
Wiley ID 748387