| SpectraBase Compound ID | 3a23Jg3YsAc |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-4-5-6-9-12-20-16(18)14-11-8-7-10-13(14)15(17)19-2/h7-8,10-11H,3-6,9,12H2,1-2H3 |
| InChIKey | HJOXYDMLDIRNIT-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vsVHZF6di7 |
|---|---|
| Name | Heptyl methyl phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-3-4-5-6-9-12-20-16(18)14-11-8-7-10-13(14)15(17)19-2/h7-8,10-11H,3-6,9,12H2,1-2H3 |
| InChIKey | HJOXYDMLDIRNIT-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCCCCCCC)C(=O)OC |