| SpectraBase Compound ID | E3PAslLCW9t |
|---|---|
| InChI | InChI=1S/C18H20O3/c1-12(2)18(20)21-17-10-6-15(7-11-17)13(3)14-4-8-16(19)9-5-14/h4-13,19H,1-3H3 |
| InChIKey | KSMGAXVXMLBEGT-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C18H20O3 |
| Exact Mass | 284.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3XRinvTFacc |
|---|---|
| Name | Bisphenol E, 2-methylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.141244501 u |
| Formula | C18H20O3 |
| InChI | InChI=1S/C18H20O3/c1-12(2)18(20)21-17-10-6-15(7-11-17)13(3)14-4-8-16(19)9-5-14/h4-13,19H,1-3H3 |
| InChIKey | KSMGAXVXMLBEGT-UHFFFAOYSA-N |
| SMILES | C(C)(C1=CC=C(C=C1)OC(C(C)C)=O)C1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847359 |