SpectraBase Compound ID | DwIf50yy0mS |
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InChI | InChI=1S/C10H20O2/c1-3-11-8-9-5-6-10(7-9)12-4-2/h9-10H,3-8H2,1-2H3 |
InChIKey | OZDUCOOOQXDMIR-UHFFFAOYSA-N |
Mol Weight | 172.27 g/mol |
Molecular Formula | C10H20O2 |
Exact Mass | 172.14633 g/mol |
SpectraBase Spectrum ID | 4YDPgY3Zblb |
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Name | 1-Ethoxy-3-(ethoxymethyl)cyclopentane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 172.146329882 u |
Formula | C10H20O2 |
InChI | InChI=1S/C10H20O2/c1-3-11-8-9-5-6-10(7-9)12-4-2/h9-10H,3-8H2,1-2H3 |
InChIKey | OZDUCOOOQXDMIR-UHFFFAOYSA-N |
Molecular Weight | 172.268 g/mol |
SMILES | C(OCC)C1CC(CC1)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939095 |