| SpectraBase Compound ID | Kzhe9q1sgdi |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-3-4-5-9-12-16(17)18-13-14(2)19-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3 |
| InChIKey | AQEMDKOXVCFOGV-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 | 9FPCxIfp84U |
|---|---|
| Name | (+-)-2-phenoxy-1-propyl heptanoate |
| 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/c1-3-4-5-9-12-16(17)18-13-14(2)19-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3 |
| InChIKey | AQEMDKOXVCFOGV-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | C(=O)(OCC(OC=1C=CC=CC1)C)CCCCCC |