| SpectraBase Compound ID | LisgkT84CL3 |
|---|---|
| InChI | InChI=1S/C17H20O2/c1-14(13-16(18)19-17(2,3)4)9-8-12-15-10-6-5-7-11-15/h5-7,9-11H,13H2,1-4H3/b14-9- |
| InChIKey | GEYZXLXGZDHLEH-ZROIWOOFSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C17H20O2 |
| Exact Mass | 256.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBL7M4ln4Pu |
|---|---|
| Name | (Z)-Tert-butyl 3-methyl-6-phenylhex-3-en-5-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.146329882 u |
| Formula | C17H20O2 |
| InChI | InChI=1S/C17H20O2/c1-14(13-16(18)19-17(2,3)4)9-8-12-15-10-6-5-7-11-15/h5-7,9-11H,13H2,1-4H3/b14-9- |
| InChIKey | GEYZXLXGZDHLEH-ZROIWOOFSA-N |
| Molecular Weight | 256.345 g/mol |
| SMILES | C(#CC1=CC=CC=C1)\C=C/(CC(OC(C)(C)C)=O)C |