| SpectraBase Compound ID | 4yRfKLHmw0x |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-5-6-7-10-13(2)21-17(19)15-12-9-8-11-14(15)16(18)20-3/h8-9,11-13H,4-7,10H2,1-3H3 |
| InChIKey | HTUZBKJZBAWKPB-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aln2w5814f |
|---|---|
| Name | Methyl octan-2-yl phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-5-6-7-10-13(2)21-17(19)15-12-9-8-11-14(15)16(18)20-3/h8-9,11-13H,4-7,10H2,1-3H3 |
| InChIKey | HTUZBKJZBAWKPB-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C(=O)OC(CCCCCC)C)C(=O)OC |