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Methyl 4-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzoate

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Methyl 4-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzoate
SpectraBase Compound ID 4AiFVMt8BFr
InChI InChI=1S/C12H13NO2S2/c1-15-11(14)10-4-2-9(3-5-10)8-17-12-13-6-7-16-12/h2-5H,6-8H2,1H3
InChIKey LGQKIMQROHFJGL-UHFFFAOYSA-N
Mol Weight 267.36 g/mol
Molecular Formula C12H13NO2S2
Exact Mass 267.038771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ic4I0kRWwa8
Name benzoic acid, 4-[[(4,5-dihydro-2-thiazolyl)thio]methyl]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.038771009 u
Formula C12H13NO2S2
InChI InChI=1S/C12H13NO2S2/c1-15-11(14)10-4-2-9(3-5-10)8-17-12-13-6-7-16-12/h2-5H,6-8H2,1H3
InChIKey LGQKIMQROHFJGL-UHFFFAOYSA-N
Molecular Weight 267.361 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4368
Solvent DMSO-d6
Source Vendor ID: NMR/9311241; Lab Info: PNA; Lab Number: PNA-0000750