| SpectraBase Compound ID | 1CG9Ra4hLiT |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-7(11)6-14-10(13)8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3 |
| InChIKey | CEGJMSLTYGORDN-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CWIrdZYEx1M |
|---|---|
| Name | 1,2-Propanediol, 1-salicylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-7(11)6-14-10(13)8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3 |
| InChIKey | CEGJMSLTYGORDN-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | OC(COC(C=1C(=CC=CC1)O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.950662 |