| SpectraBase Compound ID | jQQspkIgsN |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-7-11(4)16(17)19-15-8-12(5)14(18-6)9-13(15)10(2)3/h7-10H,1-6H3/b11-7+ |
| InChIKey | LLEOAKBZOLWGPN-YRNVUSSQSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mRPDeQsW9G |
|---|---|
| Name | 6-Methoxy thymyl tiglate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-7-11(4)16(17)19-15-8-12(5)14(18-6)9-13(15)10(2)3/h7-10H,1-6H3/b11-7+ |
| InChIKey | LLEOAKBZOLWGPN-YRNVUSSQSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(\C(=C\C)C)(=O)OC1=CC(C)=C(C=C1C(C)C)OC |