| SpectraBase Compound ID | AfCnCuwxoS5 |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14) |
| InChIKey | MURZAHIYMVFXCF-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JKtZlzrowaY |
|---|---|
| Name | (Thymyloxy)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14) |
| InChIKey | MURZAHIYMVFXCF-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | OC(COC1=C(C=CC(=C1)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.953057 |