| SpectraBase Compound ID | 7sBB3Z0psAu |
|---|---|
| InChI | InChI=1S/C13H23NO4/c1-11-7-5-6-9-12(14(16)17)8-3-2-4-10-13(15)18-11/h11-12H,2-10H2,1H3 |
| InChIKey | WOYNBPCPKWHUTR-UHFFFAOYSA-N |
| Mol Weight | 257.33 g/mol |
| Molecular Formula | C13H23NO4 |
| Exact Mass | 257.162708 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9UKEklQaFNM |
|---|---|
| Name | 8-Nitro-12-tridecanolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.162708221 u |
| Formula | C13H23NO4 |
| InChI | InChI=1S/C13H23NO4/c1-11-7-5-6-9-12(14(16)17)8-3-2-4-10-13(15)18-11/h11-12H,2-10H2,1H3 |
| InChIKey | WOYNBPCPKWHUTR-UHFFFAOYSA-N |
| Molecular Weight | 257.330 g/mol |
| SMILES | C1(N(=O)=O)CCCCCC(=O)OC(CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821637 |