![1-Penten-3-ol, 4-(methylamino)-1-phenyl-, [R-[R*,S*-(E)]]-](/api/spectrum/KCIhIbpIbzW/structure.png?h=300&w=458 "1-Penten-3-ol, 4-(methylamino)-1-phenyl-, [R-[R*,S*-(E)]]-")
| SpectraBase Compound ID | 6eK0uToAQ4d |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-10(13-2)12(14)9-8-11-6-4-3-5-7-11/h3-10,12-14H,1-2H3/b9-8+/t10-,12+/m0/s1 |
| InChIKey | DMIXAWVAFHJWNH-SEOINYINSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCIhIbpIbzW |
|---|---|
| Name | 1-Penten-3-ol, 4-(methylamino)-1-phenyl-, [R-[R*,S*-(E)]]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-10(13-2)12(14)9-8-11-6-4-3-5-7-11/h3-10,12-14H,1-2H3/b9-8+/t10-,12+/m0/s1 |
| InChIKey | DMIXAWVAFHJWNH-SEOINYINSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C=1(\C=C\[C@]([C@@](NC)(C)[H])(O)[H])C=CC=CC1 |