| SpectraBase Compound ID | 9a8UJY6FTYA |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-7-12-21-17(19)14-10-8-9-11-15(14)18(20)22-16(6-2)13(3)4/h8-11,13,16H,5-7,12H2,1-4H3 |
| InChIKey | NDPGAOFFTXMREL-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNnvuSsoJ9U |
|---|---|
| Name | Phthalic acid, butyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-5-7-12-21-17(19)14-10-8-9-11-15(14)18(20)22-16(6-2)13(3)4/h8-11,13,16H,5-7,12H2,1-4H3 |
| InChIKey | NDPGAOFFTXMREL-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCC |