| SpectraBase Compound ID | JtrWgraH2i8 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-4-7-13-19-15(17)11-8-9-12-16(18)20-14(6-3)10-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | VDCLKIRDDJVFCJ-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JjMHPfrR4qD |
|---|---|
| Name | Adipic acid, butyl 3-hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-4-7-13-19-15(17)11-8-9-12-16(18)20-14(6-3)10-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | VDCLKIRDDJVFCJ-UHFFFAOYSA-N |
| SMILES | C(C(OC(CC)CCC)=O)CCCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96791 |