| SpectraBase Compound ID | AFpiOR9bG8v |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7H,2-4H2,1H3 |
| InChIKey | CIZUNRVGSYFMQM-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DK9KGPXE89h |
|---|---|
| Name | Methyl 1-tetralone-7-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7H,2-4H2,1H3 |
| InChIKey | CIZUNRVGSYFMQM-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C1=2C=C(C(=O)OC)C=CC2CCCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881121 |