| SpectraBase Compound ID | LPy7JlTtfD9 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-10-6-5-7-11(8-10)16-12(14)15-9-13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | OMEIGROPJSTJFR-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 | rVlPVamFbG |
|---|---|
| Name | Carbonic acid, neopentyl 3-methylphenyl 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/c1-10-6-5-7-11(8-10)16-12(14)15-9-13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | OMEIGROPJSTJFR-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | CC(COC(=O)OC1=CC(C)=CC=C1)(C)C |