KHTCZORAHPESEM-MRVPVSSYSA-N
Compound with spectra: 2 NMR
| SpectraBase Compound ID | F8uM3raTvS0 |
|---|---|
| InChI | InChI=1S/C9H8NO3S/c1-13-8-6-4-2-3-5-7(6)14-9(8)10(11)12/h2-5,8H,1H3/q-1/t8-/m1/s1 |
| InChIKey | KHTCZORAHPESEM-MRVPVSSYSA-N |
| Mol Weight | 210.23 g/mol |
| Molecular Formula | C9H8NO3S |
| Exact Mass | 210.022489 g/mol |
| Enantiomer InChIKey | KHTCZORAHPESEM-QMMMGPOBSA-N |
| Racemate InChIKey | KHTCZORAHPESEM-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
4-(4'-Methoxyphenyl)-3,1-benzoxathiin
Pyrrolidine, 1-[methoxy(2-methoxyphenyl)acetyl]-
2,2'-thiodibenzoic acid, bis(p-chlorophenyl) ester
(+/-)-(E)-3-[(E)-1-PHENYL-2-(PARA-TOLYLSULFINYL)-HEPT-2-EN-1-OXY]-METHYL-ACRYLATE
(+/-)-(E)-3-[(Z)-1-PHENYL-2-(PARA-TOLYLSULFENYL)-HEPT-2-EN-1-OXY]-METHYL-ACRYLATE
RVDPCBHNPRWCLC-VIFPVBQESA-N
3,3-BIS(HYDROXYMETHYL)-2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE
(Z)-2-(2-Methoxycarbonyl-1-methoxycarbonylmethyl-vinylthio)-benzoic acid
(E)-2-(2-Methoxycarbonyl-1-methoxycarbonylmethyl -vinylthio)-benzoic acid
Oxazole, 2,5-dihydro-2,2-dimethyl-4,5-diphenyl-
| Title | Journal or Book | Year |
|---|---|---|
| A Novel Approach to the Evaluation of the Importance of Steric and Electronic Effects in SNAr Reactions: A Computational, Thermodynamic and 1H and 13C NMR Study of “Meisenheimer-Type” Adducts in the Benzo[b]thiophene Series | European Journal of Organic Chemistry | 2010 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.