![p-[bis(2-Chloroethyl)amino]-alpha-cyanocinnamic acid, methyl ester](/api/spectrum/6xOpMG9o3VZ/structure.png?h=300&w=458 "p-[bis(2-Chloroethyl)amino]-alpha-cyanocinnamic acid, methyl ester")
| SpectraBase Compound ID | 4lrROTANqE0 |
|---|---|
| InChI | InChI=1S/C15H16Cl2N2O2/c1-21-15(20)13(11-18)10-12-2-4-14(5-3-12)19(8-6-16)9-7-17/h2-5,10H,6-9H2,1H3 |
| InChIKey | AUROBIREEDZYEB-UHFFFAOYSA-N |
| Mol Weight | 327.21 g/mol |
| Molecular Formula | C15H16Cl2N2O2 |
| Exact Mass | 326.058883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xOpMG9o3VZ |
|---|---|
| Name | p-[bis(2-Chloroethyl)amino]-alpha-cyanocinnamic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.058883161 u |
| Formula | C15H16Cl2N2O2 |
| InChI | InChI=1S/C15H16Cl2N2O2/c1-21-15(20)13(11-18)10-12-2-4-14(5-3-12)19(8-6-16)9-7-17/h2-5,10H,6-9H2,1H3 |
| InChIKey | AUROBIREEDZYEB-UHFFFAOYSA-N |
| Molecular Weight | 327.211 g/mol |
| SMILES | C(Cl)CN(CCCl)C=1C=CC(=CC1)C=C(C(=O)OC)C#N |