| SpectraBase Spectrum ID |
2JSPwdSwoAN |
| Name |
Ethyl N-(3-chloranyl-4-oxidanyl-phenyl)-N-(ethoxycarbonylamino)carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.066949286 u |
| Formula |
C12H15ClN2O5 |
| InChI |
InChI=1S/C12H15ClN2O5/c1-3-19-11(17)14-15(12(18)20-4-2)8-5-6-10(16)9(13)7-8/h5-7,16H,3-4H2,1-2H3,(H,14,17) |
| InChIKey |
OUHJAOYPSIRPSA-UHFFFAOYSA-N |
| Molecular Weight |
302.714 g/mol |
| SMILES |
C(NN(C(=O)OCC)C=1C=C(C(=CC1)O)Cl)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925189 |
