For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzoic acid, 4-methoxy-, 3-(1-piperidinylcarbonothioyl)phenyl ester
SpectraBase Compound ID LZTDyDTG17L
InChI InChI=1S/C20H21NO3S/c1-23-17-10-8-15(9-11-17)20(22)24-18-7-5-6-16(14-18)19(25)21-12-3-2-4-13-21/h5-11,14H,2-4,12-13H2,1H3
InChIKey YFYVPMTXJCORGT-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H21NO3S
Exact Mass 355.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3LOU5Ol81Ys
Name (3-piperidin-1-ylcarbothioylphenyl) 4-methoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3S
InChI InChI=1S/C20H21NO3S/c1-23-17-10-8-15(9-11-17)20(22)24-18-7-5-6-16(14-18)19(25)21-12-3-2-4-13-21/h5-11,14H,2-4,12-13H2,1H3
InChIKey YFYVPMTXJCORGT-UHFFFAOYSA-N
Molecular Weight 355.452 g/mol
SMILES c1(cc(OC(c2ccc(OC)cc2)=O)ccc1)C(N1CCCCC1)=S
SPLASH splash10-000i-4921000000-bca8e7fce368f6ae99a3
Synonyms 4-Methoxybenzoic acid [3-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester [3-(piperidine-1-carbothioyl)phenyl] 4-methoxybenzoate
Wiley ID 1456439