SpectraBase Compound ID | L4rfSJOxAWR |
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InChI | InChI=1S/C13H18O4/c1-12(14)17-10-9-15-7-8-16-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3 |
InChIKey | GAIAWYSTWUKJRS-UHFFFAOYSA-N |
Mol Weight | 238.28 g/mol |
Molecular Formula | C13H18O4 |
Exact Mass | 238.120509 g/mol |
SpectraBase Spectrum ID | 7DnZyN7seUC |
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Name | 2-[2-(Benzyloxy)ethoxy]ethanol, acetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 238.120509056 u |
Formula | C13H18O4 |
InChI | InChI=1S/C13H18O4/c1-12(14)17-10-9-15-7-8-16-11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3 |
InChIKey | GAIAWYSTWUKJRS-UHFFFAOYSA-N |
Molecular Weight | 238.283 g/mol |
SMILES | C=1C(=CC=CC1)COCCOCCOC(C)=O |
Spectrum/Structure Validation Score (Raman) | 0.989315 |