![[(E)-4,4-dimethoxybut-2-enoxy]methylbenzene](/api/spectrum/2rCLTXGBK88/structure.png?h=300&w=458 "[(E)-4,4-dimethoxybut-2-enoxy]methylbenzene")
| SpectraBase Compound ID | 8sgLictJr2Z |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-14-13(15-2)9-6-10-16-11-12-7-4-3-5-8-12/h3-9,13H,10-11H2,1-2H3/b9-6+ |
| InChIKey | AFIOVGJLGWFUBZ-RMKNXTFCSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rCLTXGBK88 |
|---|---|
| Name | [(E)-4,4-Dimethoxybut-2-enoxy]methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-14-13(15-2)9-6-10-16-11-12-7-4-3-5-8-12/h3-9,13H,10-11H2,1-2H3/b9-6+ |
| InChIKey | AFIOVGJLGWFUBZ-RMKNXTFCSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(\C=C\COCC=1C=CC=CC1)(OC)OC |