| SpectraBase Compound ID | BhwQZCGRudS |
|---|---|
| InChI | InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2 |
| InChIKey | YHOWYTOWCBNTHB-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 82UeelXJAso |
|---|---|
| Name | 1,4-Butanediol, dibenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2 |
| InChIKey | YHOWYTOWCBNTHB-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=CC1)C(OCCCCOC(C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.944715 |