| SpectraBase Compound ID | KKXGeQC2qg |
|---|---|
| InChI | InChI=1S/C15H21Cl2NO2/c1-20-15(19)4-2-3-13-5-7-14(8-6-13)18(11-9-16)12-10-17/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | PNAAJAGDSYYODD-UHFFFAOYSA-N |
| Mol Weight | 318.24 g/mol |
| Molecular Formula | C15H21Cl2NO2 |
| Exact Mass | 317.094934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | pTpSjLj87b |
|---|---|
| Name | Chlorambucil me P1010 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.094934318 u |
| Formula | C15H21Cl2NO2 |
| InChI | InChI=1S/C15H21Cl2NO2/c1-20-15(19)4-2-3-13-5-7-14(8-6-13)18(11-9-16)12-10-17/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | PNAAJAGDSYYODD-UHFFFAOYSA-N |
| Molecular Weight | 318.244 g/mol |
| SMILES | C=1(C=CC(CCCC(OC)=O)=CC1)N(CCCl)CCCl |