John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16ZEkQJcOV2 SpectraBase Spectrum ID=BIY19VzNH3F

(accessed ).
2-(PHENYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLIC-ACID
SpectraBase Compound ID 16ZEkQJcOV2
InChI InChI=1S/C14H10N2O6S/c17-14(18)11-6-10(15(19)20)7-12(16(21)22)13(11)23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKey XUJFJEGQZDLEDL-UHFFFAOYSA-N
Mol Weight 334.3 g/mol
Molecular Formula C14H10N2O6S
Exact Mass 334.025958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIY19VzNH3F
Name 2-(PHENYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLIC-ACID
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10N2O6S
InChI InChI=1S/C14H10N2O6S/c17-14(18)11-6-10(15(19)20)7-12(16(21)22)13(11)23-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKey XUJFJEGQZDLEDL-UHFFFAOYSA-N
Literature Reference Author K.DUDOVA,F.CASTEK,V.MACHACEK,P.SIMUNEK
Literature Reference Citation MOLECULES,7,7(2002)
Literature Reference DOI 10.3390/70100007
Molecular Weight 334.303 g/mol
Solvent DMSO-D6
Source File Reference UWLU7645
SpectraBase Batch ID GrYPce25EDq