| SpectraBase Compound ID | 510oBNBTjbn |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-5(2)7-11-3-6(4-12-7)8(9)10/h5-7H,3-4H2,1-2H3 |
| InChIKey | KPDQVDPNOWIHOY-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HwdLi1oFMqL |
|---|---|
| Name | 2-Isopropyl-5-nitro-m-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.084457899 u |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-5(2)7-11-3-6(4-12-7)8(9)10/h5-7H,3-4H2,1-2H3 |
| InChIKey | KPDQVDPNOWIHOY-UHFFFAOYSA-N |
| Molecular Weight | 175.184 g/mol |
| SMILES | N(=O)(=O)C1COC(OC1)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.98133 |