| SpectraBase Compound ID | 6nygzRzwkag |
|---|---|
| InChI | InChI=1S/C11H12O2/c12-11(13)7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2,(H,12,13) |
| InChIKey | AVLCYTRBQULWGZ-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E5axEEwm7YC |
|---|---|
| Name | 2,3-Dihydro-1H-inden-5-ylacetic 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)7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2,(H,12,13) |
| InChIKey | AVLCYTRBQULWGZ-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(O)(=O)CC1=CC2=C(C=C1)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92521 |