| SpectraBase Compound ID | 2DgnEppql6j |
|---|---|
| InChI | InChI=1S/C10H18O3/c11-7-8-13-10(12)9-5-3-1-2-4-6-9/h9,11H,1-8H2 |
| InChIKey | ZRSMANCZQFLXLA-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1oHMvQiqaKC |
|---|---|
| Name | Cycloheptanecarboxylic acid, 2-hydroxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c11-7-8-13-10(12)9-5-3-1-2-4-6-9/h9,11H,1-8H2 |
| InChIKey | ZRSMANCZQFLXLA-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(=O)(C1CCCCCC1)OCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937247 |