| SpectraBase Compound ID | Kz9oLdluZCE |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-3-11(4-2)15-12(14)13-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | OAXXVBPILMSFQB-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 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 | 3tzIBsiokXL |
|---|---|
| Name | 3-Pentanol, carbanilate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-3-11(4-2)15-12(14)13-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | OAXXVBPILMSFQB-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | N(C(=O)OC(CC)CC)C=1C=CC=CC1 |