SpectraBase Compound ID | Gp4ZJetI2bc |
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InChI | InChI=1S/C9H16O3/c10-8-3-1-2-4-9(7-8)11-5-6-12-9/h8,10H,1-7H2 |
InChIKey | DKRMZZKWLJZOIL-UHFFFAOYSA-N |
Mol Weight | 172.22 g/mol |
Molecular Formula | C9H16O3 |
Exact Mass | 172.109944 g/mol |
SpectraBase Spectrum ID | 2TTpSt7oDdR |
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Name | 1,4-Dioxaspiro[4.6]undecan-7-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 172.109944372 u |
Formula | C9H16O3 |
InChI | InChI=1S/C9H16O3/c10-8-3-1-2-4-9(7-8)11-5-6-12-9/h8,10H,1-7H2 |
InChIKey | DKRMZZKWLJZOIL-UHFFFAOYSA-N |
Molecular Weight | 172.224 g/mol |
SMILES | C1OC2(OC1)CC(CCCC2)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919691 |