![Benzene, [(4-methoxybutoxy)methyl]-](/api/spectrum/JSCu7ch2gff/structure.png?h=300&w=458 "Benzene, [(4-methoxybutoxy)methyl]-")
| SpectraBase Compound ID | Js57CB9fHFJ |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-13-9-5-6-10-14-11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3 |
| InChIKey | ODRNXWXLMHZREW-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JSCu7ch2gff |
|---|---|
| Name | Benzene, [(4-methoxybutoxy)methyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-13-9-5-6-10-14-11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3 |
| InChIKey | ODRNXWXLMHZREW-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C(OCCCCOC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964082 |