| SpectraBase Compound ID | 5S6FUhRbhLN |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-7-11-19(17(20)23-18(2,3)4)12-10-14-8-9-15(21-5)16(13-14)22-6/h1,8-9,13H,10-12H2,2-6H3 |
| InChIKey | OICCGDUTTWYBBQ-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISkOfGjmv5N |
|---|---|
| Name | Tert-butyl 3,4-dimethoxyphenethyl(prop-2-yn-1-yl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-7-11-19(17(20)23-18(2,3)4)12-10-14-8-9-15(21-5)16(13-14)22-6/h1,8-9,13H,10-12H2,2-6H3 |
| InChIKey | OICCGDUTTWYBBQ-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C(OC(N(CCC1=CC(OC)=C(C=C1)OC)CC#C)=O)(C)(C)C |