![2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate](/api/spectrum/3LviTrAPFgI/structure.png?h=300&w=458 "2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate")
| SpectraBase Compound ID | ECbRcFQOaGv |
|---|---|
| InChI | InChI=1S/C14H18Cl3NO2/c15-5-8-18(9-6-16)13-3-1-12(2-4-13)11-14(19)20-10-7-17/h1-4H,5-11H2 |
| InChIKey | ATBGRXLGJFBEGK-UHFFFAOYSA-N |
| Mol Weight | 338.66 g/mol |
| Molecular Formula | C14H18Cl3NO2 |
| Exact Mass | 337.040312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LviTrAPFgI |
|---|---|
| Name | 2-Chloroethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.040311922 u |
| Formula | C14H18Cl3NO2 |
| InChI | InChI=1S/C14H18Cl3NO2/c15-5-8-18(9-6-16)13-3-1-12(2-4-13)11-14(19)20-10-7-17/h1-4H,5-11H2 |
| InChIKey | ATBGRXLGJFBEGK-UHFFFAOYSA-N |
| Molecular Weight | 338.662 g/mol |
| SMILES | C(=O)(CC=1C=CC(=CC1)N(CCCl)CCCl)OCCCl |