![Trans-3-[bis(2-chloroethyl)amino]acrylophenone](/api/spectrum/GZRs5os9rBD/structure.png?h=300&w=458 "Trans-3-[bis(2-chloroethyl)amino]acrylophenone")
| SpectraBase Compound ID | 5BhD2APrSW7 |
|---|---|
| InChI | InChI=1S/C13H15Cl2NO/c14-7-10-16(11-8-15)9-6-13(17)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11H2/b9-6+ |
| InChIKey | QQPBCGADKJDUTI-RMKNXTFCSA-N |
| Mol Weight | 272.18 g/mol |
| Molecular Formula | C13H15Cl2NO |
| Exact Mass | 271.05307 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GZRs5os9rBD |
|---|---|
| Name | Trans-3-[bis(2-chloroethyl)amino]acrylophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.053069506 u |
| Formula | C13H15Cl2NO |
| InChI | InChI=1S/C13H15Cl2NO/c14-7-10-16(11-8-15)9-6-13(17)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11H2/b9-6+ |
| InChIKey | QQPBCGADKJDUTI-RMKNXTFCSA-N |
| SMILES | C=1C(=CC=CC1)C(\C=C\N(CCCl)CCCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.709438 |