| SpectraBase Compound ID | KMlU63iBdcc |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-5-9-16-13(15)17-12-8-6-7-11(10-12)14(2,3)4/h6-8,10H,5,9H2,1-4H3 |
| InChIKey | DNSCHIBAGVYCSA-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | zBCPWg6iZZ |
|---|---|
| Name | 3-Tert-butylphenol, o-(N-propyloxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-5-9-16-13(15)17-12-8-6-7-11(10-12)14(2,3)4/h6-8,10H,5,9H2,1-4H3 |
| InChIKey | DNSCHIBAGVYCSA-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1=C(C=CC=C1OC(OCCC)=O)C(C)(C)C |