| SpectraBase Compound ID | HjZZK6BY0iq |
|---|---|
| InChI | InChI=1S/C18H20O3/c1-2-3-4-5-6-7-12-15-16(19)13-10-8-9-11-14(13)17(20)18(15)21/h7-12,21H,2-6H2,1H3/b12-7+ |
| InChIKey | KFRZQVFBCFZBBZ-KPKJPENVSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C18H20O3 |
| Exact Mass | 284.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1CTaQbDQLL |
|---|---|
| Name | 1,4-Naphthalenedione, 2-hydroxy-3-(1-octenyl)-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.141244501 u |
| Formula | C18H20O3 |
| InChI | InChI=1S/C18H20O3/c1-2-3-4-5-6-7-12-15-16(19)13-10-8-9-11-14(13)17(20)18(15)21/h7-12,21H,2-6H2,1H3/b12-7+ |
| InChIKey | KFRZQVFBCFZBBZ-KPKJPENVSA-N |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2)O)\C=C\CCCCCC |