| SpectraBase Compound ID | L0X1NoZ7Ak9 |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3 |
| InChIKey | DBOSBRHMHBENLP-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9RIa5nUxr0U |
|---|---|
| Name | 4-Tert-butylphenyl salicylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3 |
| InChIKey | DBOSBRHMHBENLP-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC=CC1)C(=O)OC1=CC=C(C=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.762213 |