SpectraBase Compound ID | HaepHwSCZBP |
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InChI | InChI=1S/C7H14O3/c1-7(4-8)3-6(9-2)10-5-7/h6,8H,3-5H2,1-2H3 |
InChIKey | VSDKEVLPGUGJBI-UHFFFAOYSA-N |
Mol Weight | 146.19 g/mol |
Molecular Formula | C7H14O3 |
Exact Mass | 146.094294 g/mol |
SpectraBase Spectrum ID | 4J8s57s0WKA |
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Name | 4-Hydroxymethyl-2-methoxy-4-methyltetrahydrouran |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.094294308 u |
Formula | C7H14O3 |
InChI | InChI=1S/C7H14O3/c1-7(4-8)3-6(9-2)10-5-7/h6,8H,3-5H2,1-2H3 |
InChIKey | VSDKEVLPGUGJBI-UHFFFAOYSA-N |
Molecular Weight | 146.186 g/mol |
SMILES | C1(COC(C1)OC)(CO)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880545 |