SpectraBase Compound ID | EVamdgSXjRL |
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InChI | InChI=1S/C13H20O2/c1-14-12-15-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3 |
InChIKey | QYDZKAJAMBKMOV-UHFFFAOYSA-N |
Mol Weight | 208.3 g/mol |
Molecular Formula | C13H20O2 |
Exact Mass | 208.14633 g/mol |
SpectraBase Spectrum ID | 8LWee9YnYhH |
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Name | 1-(5-Methoxymethoxypentyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 208.146329882 u |
Formula | C13H20O2 |
InChI | InChI=1S/C13H20O2/c1-14-12-15-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3 |
InChIKey | QYDZKAJAMBKMOV-UHFFFAOYSA-N |
Molecular Weight | 208.301 g/mol |
SMILES | C(OC)OCCCCCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96114 |