| SpectraBase Compound ID | BNaiFkqHaJv |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-4-5-18-11-7-9(12(14)16-2)6-10(8-11)13(15)17-3/h6-8H,4-5H2,1-3H3 |
| InChIKey | MWYUWWWJDMNSAH-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 | 8ipsaNw92KV |
|---|---|
| Name | 1,3-Benzenedicarboxylic acid, 5-propoxy-, dimethyl ester |
| 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/c1-4-5-18-11-7-9(12(14)16-2)6-10(8-11)13(15)17-3/h6-8H,4-5H2,1-3H3 |
| InChIKey | MWYUWWWJDMNSAH-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | CCCOC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |