PNU-101387-N(11)-OXIDE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 7IE7esqIIaO |
|---|---|
| InChI | InChI=1S/C21H27N3O4S/c22-29(26,27)19-7-5-18(6-8-19)23-11-14-24(25,15-12-23)13-9-21-20-4-2-1-3-17(20)10-16-28-21/h1-8,21H,9-16H2,(H2,22,26,27)/t21-/m0/s1 |
| InChIKey | VTMQZCFYWPIJPD-NRFANRHFSA-N |
| Mol Weight | 417.52 g/mol |
| Molecular Formula | C21H27N3O4S |
| Exact Mass | 417.172228 g/mol |
| Enantiomer InChIKey | VTMQZCFYWPIJPD-OAQYLSRUSA-N |
| Racemate InChIKey | VTMQZCFYWPIJPD-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
2-propenamide, N-[1-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-3-phenyl-, (2E)-
Isochroman-1-carboxylic acid, pyridin-2-ylamide
benzoic acid, 4-[[(3,4-dihydro-1H-2-benzopyran-1-yl)carbonyl]amino]-, ethyl ester
1H-2-Benzopyran-1-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-
5-Isobutyl-3-[3-(p-methoxybenzyloxy)-2-methylpropenyl]benzo[e]-1,3]dioxepane
{3-[1-(ammoniomethyl)-3,4-dihydro-1H-isochromen-1-yl]propyl}(diethyl)ammonium dichloride
Isochromane, 1-aminomethyl-1-(3-diethylaminopropyl)-
3-Methylene-2,3,3a,4,5,9b-hexahydronaphtho[b]furra
benzoic acid, 4-[3-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-2,5-dioxo-1-pyrrolidinyl]-, butyl ester
4-Nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
| Title | Journal or Book | Year |
|---|---|---|
| Unequivocal location of sites ofN-oxidation using natural abundance long-range1H,15N GHNMQC two-dimensional NMR | Magnetic Resonance in Chemistry | 1998 |
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.