| SpectraBase Compound ID | HuAfU62KF2R |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-5-6-11-21-17(19)15-8-7-9-16(13-15)18(20)22-12-10-14(2)3/h7-10,13H,4-6,11-12H2,1-3H3 |
| InChIKey | UVROMVJOMZBTOP-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2gyvZXvsu7z |
|---|---|
| Name | Isophthalic acid, 3-methylbut-2-en-1-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-5-6-11-21-17(19)15-8-7-9-16(13-15)18(20)22-12-10-14(2)3/h7-10,13H,4-6,11-12H2,1-3H3 |
| InChIKey | UVROMVJOMZBTOP-UHFFFAOYSA-N |
| SMILES | CCCCCOC(C=1C=C(C(OCC=C(C)C)=O)C=CC1)=O |