| SpectraBase Compound ID | Hbvjlzou6ka |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-5-6-15-13(14)16-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3 |
| InChIKey | ZUSVDPQJOPHNRZ-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L53thVJwTN7 |
|---|---|
| Name | Carbonic acid, butyl 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-4-5-6-15-13(14)16-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3 |
| InChIKey | ZUSVDPQJOPHNRZ-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | CCCCOC(=O)OC1=CC(C)=CC(C)=C1 |