| SpectraBase Compound ID | 6OvgldnDpd7 |
|---|---|
| InChI | InChI=1S/C12H15ClO3/c1-12(2,3)8-15-11(14)16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3 |
| InChIKey | NYJHHOFKZJVGJQ-UHFFFAOYSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C12H15ClO3 |
| Exact Mass | 242.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Tr4dNbK8e9 |
|---|---|
| Name | Carbonic acid, neopentyl 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.070972040 u |
| Formula | C12H15ClO3 |
| InChI | InChI=1S/C12H15ClO3/c1-12(2,3)8-15-11(14)16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3 |
| InChIKey | NYJHHOFKZJVGJQ-UHFFFAOYSA-N |
| Molecular Weight | 242.702 g/mol |
| SMILES | CC(COC(=O)OC1=CC=C(C=C1)Cl)(C)C |