| SpectraBase Compound ID | Hp0HJMjY875 |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h3-4,7-10H,1-2,5-6,11-12H2 |
| InChIKey | PHSVKLDVWSRDNM-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7XR9XsQXEOV |
|---|---|
| Name | Dibut-3-enyl phthalate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h3-4,7-10H,1-2,5-6,11-12H2 |
| InChIKey | PHSVKLDVWSRDNM-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C(=C1)C(=O)OCCC=C)C(=O)OCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912649 |