| SpectraBase Compound ID | 8DVK2BGfdm7 |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-17-12(15)10-6-2-3-7-11(10)13(16)18-9-5-4-8-14/h2-3,6-7,14H,4-5,8-9H2,1H3 |
| InChIKey | MPZUGYYJPPBONC-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sqoJ5kZ4iP |
|---|---|
| Name | Methyl 4-hydroxybutyl phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-17-12(15)10-6-2-3-7-11(10)13(16)18-9-5-4-8-14/h2-3,6-7,14H,4-5,8-9H2,1H3 |
| InChIKey | MPZUGYYJPPBONC-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC)=O)C(OCCCCO)=O |