| SpectraBase Compound ID | 19rSfQJvvhB |
|---|---|
| InChI | InChI=1S/C17H15ClN2O3/c1-10-7-8-13(11(2)9-10)19-16(15(18)17(19)21)12-5-3-4-6-14(12)20(22)23/h3-9,15-16H,1-2H3/t15-,16-/m1/s1 InChI=1S/C17H15ClN2O3/c1-10-7-8-13(11(2)9-10)19-16(15(18)17(19)21)12-5-3-4-6-14(12)20(22)23/h3-9,15-16H,1-2H3/t15-,16-/m0/s1 |
| InChIKey | KBHLPUKBHWZBSE-HZPDHXFCSA-N |
| Mol Weight | 330.77 g/mol |
| Molecular Formula | C17H15ClN2O3 |
| Exact Mass | 330.07712 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L0wygv3dK67 |
|---|---|
| Name | Trans-3-chloro-4-(o-nitrophenyl)-1-(2,4-xylyl)-2-azetidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.077120048 u |
| Formula | C17H15ClN2O3 |
| InChI | InChI=1S/C17H15ClN2O3/c1-10-7-8-13(11(2)9-10)19-16(15(18)17(19)21)12-5-3-4-6-14(12)20(22)23/h3-9,15-16H,1-2H3/t15-,16-/m1/s1 |
| InChIKey | KBHLPUKBHWZBSE-HZPDHXFCSA-N |
| Molecular Weight | 330.771 g/mol |
| SMILES | N(=O)(=O)C=1C([C@]2(N(C([C@@]2(Cl)[H])=O)C=2C=CC(=CC2C)C)[H])=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.884017 |