| SpectraBase Compound ID | KvLOGGiHv7q |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-4-6-14(17)19-16(20-15(18)7-5-2)13-10-8-12(3)9-11-13/h4-11,16H,1-3H3/b6-4+,7-5+ |
| InChIKey | DNTGLCZLPKLXBX-YDFGWWAZSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8zXCjEcXiS |
|---|---|
| Name | 4-Methylbenzylidene dicrotonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-4-6-14(17)19-16(20-15(18)7-5-2)13-10-8-12(3)9-11-13/h4-11,16H,1-3H3/b6-4+,7-5+ |
| InChIKey | DNTGLCZLPKLXBX-YDFGWWAZSA-N |
| SMILES | C(OC(\C=C\C)=O)(OC(\C=C\C)=O)C=1C=CC(=CC1)C |