| SpectraBase Compound ID | LjdBerPl29A |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-3-5-7-13-8-10-14(11-9-13)15(16)17-12-6-4-2/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | CBJILYZAALBXKE-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 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 | H4r5KbR2J3n |
|---|---|
| Name | Butyl 4-butylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-3-5-7-13-8-10-14(11-9-13)15(16)17-12-6-4-2/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | CBJILYZAALBXKE-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C=1(C(OCCCC)=O)C=CC(=CC1)CCCC |