| SpectraBase Compound ID | DEh9eAaoHzl |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-10-5-13(17-3)14(18-4)7-12(10)6-11(8-15)9-16-2/h5,7,9H,6H2,1-4H3/b11-9- |
| InChIKey | XTVUNWCMOBKFEF-LUAWRHEFSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5bigd5ufEwU |
|---|---|
| Name | Enol-ether-#13 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-10-5-13(17-3)14(18-4)7-12(10)6-11(8-15)9-16-2/h5,7,9H,6H2,1-4H3/b11-9- |
| InChIKey | XTVUNWCMOBKFEF-LUAWRHEFSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C(#N)\C(CC1=CC(OC)=C(C=C1C)OC)=C/OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969448 |