![Methyl 3-[2'-(3""""-methyl-2""""-butenyloxy)phenyl]-2-cyano-2-propenylate](/api/spectrum/1NkT47GIHWv/structure.png?h=300&w=458 "Methyl 3-[2'-(3\"\"\"\"-methyl-2\"\"\"\"-butenyloxy)phenyl]-2-cyano-2-propenylate")
| SpectraBase Compound ID | JsyNhRFYohd |
|---|---|
| InChI | InChI=1S/C16H17NO3/c1-12(2)8-9-20-15-7-5-4-6-13(15)10-14(11-17)16(18)19-3/h4-8,10H,9H2,1-3H3/b14-10+ |
| InChIKey | UPEOPTLBVQEEIV-GXDHUFHOSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NkT47GIHWv |
|---|---|
| Name | Methyl 3-[2'-(3""-methyl-2""-butenyloxy)phenyl]-2-cyano-2-propenylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.120843408 u |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c1-12(2)8-9-20-15-7-5-4-6-13(15)10-14(11-17)16(18)19-3/h4-8,10H,9H2,1-3H3/b14-10+ |
| InChIKey | UPEOPTLBVQEEIV-GXDHUFHOSA-N |
| SMILES | C=1(\C=C\(C(=O)OC)C#N)C(OCC=C(C)C)=CC=CC1 |