| SpectraBase Compound ID | ABrZL87xk4B |
|---|---|
| InChI | InChI=1S/C12H18O3/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2 |
| InChIKey | MMYUNPNIYQEMJU-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | NdijyhOVoA |
|---|---|
| Name | dl-5-(Benzyloxy)pentane-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2 |
| InChIKey | MMYUNPNIYQEMJU-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C=1(COCCCC(O)CO)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895748 |