| SpectraBase Compound ID | 8yrJHdOkTb5 |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-4-7-12(11(13)14)8-5-6-10(2)9-12/h3,5,8-9H,1,4,6-7H2,2H3,(H,13,14) |
| InChIKey | RIJQIHBCSIBSCU-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Kd46wlvXkY |
|---|---|
| Name | 2,5-Cyclohexadiene-1-carboxylic acid, 1-(3-butenyl)-3-methyl-, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-3-4-7-12(11(13)14)8-5-6-10(2)9-12/h3,5,8-9H,1,4,6-7H2,2H3,(H,13,14) |
| InChIKey | RIJQIHBCSIBSCU-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1(C=C(C)CC=C1)(C(=O)O)CCC=C |