| SpectraBase Compound ID | 3uToBwe3WD6 |
|---|---|
| InChI | InChI=1S/C28H29Cl4NO2/c1-14(2)15-6-8-17-16(12-15)7-9-18-27(3,10-5-11-28(17,18)4)13-33-25(34)19-20(26(33)35)22(30)24(32)23(31)21(19)29/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3/t18-,27-,28+/m0/s1 |
| InChIKey | QVPXBGNTQXDINE-YCTYLWGJSA-N |
| Mol Weight | 553.4 g/mol |
| Molecular Formula | C28H29Cl4NO2 |
| Exact Mass | 551.09524 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UtlwieM8Qr |
|---|---|
| Name | N,N-(TETRACHLOROPHTHALOYL)-DEHYDRO-ABIETYLAMINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H29Cl4NO2 |
| InChI | InChI=1S/C28H29Cl4NO2/c1-14(2)15-6-8-17-16(12-15)7-9-18-27(3,10-5-11-28(17,18)4)13-33-25(34)19-20(26(33)35)22(30)24(32)23(31)21(19)29/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3/t18-,27-,28+/m0/s1 |
| InChIKey | QVPXBGNTQXDINE-YCTYLWGJSA-N |
| Literature Reference Author | Z.ZHOU,Z.LIN |
| Literature Reference Citation | MOLECULES,17,4209(2012) |
| Literature Reference DOI | 10.3390/molecules17044209 |
| Molecular Weight | 553.356 g/mol |
| Sample ID | 1845 |
| Solvent | CDCl3 |