| SpectraBase Compound ID | DcQm7rWkba |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-4-6-10-18-15-9-8-14(12-13(15)3)16(17)19-11-7-5-2/h8-9,12H,4-7,10-11H2,1-3H3 |
| InChIKey | NSHTUZAELSBODY-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdTN7NwTvOc |
|---|---|
| Name | 4-Butyloxy-3-methylbenzoic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-4-6-10-18-15-9-8-14(12-13(15)3)16(17)19-11-7-5-2/h8-9,12H,4-7,10-11H2,1-3H3 |
| InChIKey | NSHTUZAELSBODY-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | C(C1=CC(=C(C=C1)OCCCC)C)(=O)OCCCC |