| SpectraBase Compound ID | EuxLuc9vEMt |
|---|---|
| InChI | InChI=1S/C21H22O5/c1-3-4-9-14-25-20(23)17-11-5-6-12-18(17)21(24)26-19-13-8-7-10-16(19)15(2)22/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey | ITZHEROGOVLUAM-UHFFFAOYSA-N |
| Mol Weight | 354.4 g/mol |
| Molecular Formula | C21H22O5 |
| Exact Mass | 354.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFfDwfcER0D |
|---|---|
| Name | Phthalic acid, 2-acethylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.146723803 u |
| Formula | C21H22O5 |
| InChI | InChI=1S/C21H22O5/c1-3-4-9-14-25-20(23)17-11-5-6-12-18(17)21(24)26-19-13-8-7-10-16(19)15(2)22/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey | ITZHEROGOVLUAM-UHFFFAOYSA-N |
| Molecular Weight | 354.402 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)C(=O)OC1=CC=CC=C1C(C)=O)=O)CCCC |