| SpectraBase Compound ID | 5iJXyCTyG5J |
|---|---|
| InChI | InChI=1S/C9H12N2O4/c1-5(2)15-8(13)6-4-7(12)11(3)9(14)10-6/h4-5H,1-3H3,(H,10,14) |
| InChIKey | SXUYNJDRHZNNPA-UHFFFAOYSA-N |
| Mol Weight | 212.2 g/mol |
| Molecular Formula | C9H12N2O4 |
| Exact Mass | 212.079707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 79g4tocDCH7 |
|---|---|
| Name | Isopropyl 3-methylorotate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.079706870 u |
| Formula | C9H12N2O4 |
| InChI | InChI=1S/C9H12N2O4/c1-5(2)15-8(13)6-4-7(12)11(3)9(14)10-6/h4-5H,1-3H3,(H,10,14) |
| InChIKey | SXUYNJDRHZNNPA-UHFFFAOYSA-N |
| Molecular Weight | 212.205 g/mol |
| SMILES | C1(N(C(C=C(N1)C(OC(C)C)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982796 |