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2,5-Dimethoxythiocarbanilic acid, S-propyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2,5-Dimethoxythiocarbanilic acid, S-propyl ester
SpectraBase Compound ID DrO5nsyvQB8
InChI InChI=1S/C12H17NO3S/c1-4-7-17-12(14)13-10-8-9(15-2)5-6-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKey OHQBATZOJVSXEA-UHFFFAOYSA-N
Mol Weight 255.33 g/mol
Molecular Formula C12H17NO3S
Exact Mass 255.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9Wd6gedBju
Name Carbamothioic acid, (2,5-dimethoxyphenyl)-, S-propyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3S
InChI InChI=1S/C12H17NO3S/c1-4-7-17-12(14)13-10-8-9(15-2)5-6-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKey OHQBATZOJVSXEA-UHFFFAOYSA-N
Molecular Weight 255.332 g/mol
SMILES N(c1cc(ccc1OC)OC)C(=O)SCCC
SPLASH splash10-0a6r-2950000000-0bc64a0ae3a337626c18
Synonyms N-(2,5-dimethoxyphenyl)carbamothioic acid S-propyl ester N-(2,5-dimethoxyphenyl)thiocarbamic acid S-propyl ester S-propyl N-(2,5-dimethoxyphenyl)carbamothioate
Wiley ID 1449981