| SpectraBase Compound ID | njsDxJPTD7 |
|---|---|
| InChI | InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13) |
| InChIKey | RSWXAGBBPCRION-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KRN6Tl7Lvkv |
|---|---|
| Name | 5,6,7,8-Tetrahydro-2-naphthoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13) |
| InChIKey | RSWXAGBBPCRION-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | OC(C=1C=CC=2CCCCC2C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.798507 |