| SpectraBase Compound ID | FQ58pfmYJvx |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-6-7-8-11-22-18(21)19(5)10-9-15-14(4)16(20)12(2)13(3)17(15)23-19/h20H,6-11H2,1-5H3 |
| InChIKey | QBSLYXGWVLERKJ-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27QQVFH1rLQ |
|---|---|
| Name | 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, N-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-6-7-8-11-22-18(21)19(5)10-9-15-14(4)16(20)12(2)13(3)17(15)23-19/h20H,6-11H2,1-5H3 |
| InChIKey | QBSLYXGWVLERKJ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CC1=C2OC(C)(CCC2=C(C(=C1C)O)C)C(=O)OCCCCC |