| SpectraBase Compound ID | J3RXi0w3rwy |
|---|---|
| InChI | InChI=1S/C13H22O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h8,10-13H,1,6-7,9H2,2-4H3/t11-,12+,13-/m1/s1 |
| InChIKey | JKUZVKDOWXRTJX-FRRDWIJNSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EG1tWqNK6fJ |
|---|---|
| Name | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl propdienyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h8,10-13H,1,6-7,9H2,2-4H3/t11-,12+,13-/m1/s1 |
| InChIKey | JKUZVKDOWXRTJX-FRRDWIJNSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=C=C |