SpectraBase Compound ID | LM0jeVsvKa7 |
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InChI | InChI=1S/C8H16O2/c1-3-8(10)5-7(8)4-6(2)9/h6-7,9-10H,3-5H2,1-2H3 |
InChIKey | DUEXHEMIRVQSNM-UHFFFAOYSA-N |
Mol Weight | 144.21 g/mol |
Molecular Formula | C8H16O2 |
Exact Mass | 144.11503 g/mol |
SpectraBase Spectrum ID | ESK8yW58SW4 |
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Name | 1-Ethyl-2-(2-hydroxypropyl)-1-cyclopropanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 144.115029753 u |
Formula | C8H16O2 |
InChI | InChI=1S/C8H16O2/c1-3-8(10)5-7(8)4-6(2)9/h6-7,9-10H,3-5H2,1-2H3 |
InChIKey | DUEXHEMIRVQSNM-UHFFFAOYSA-N |
Molecular Weight | 144.214 g/mol |
SMILES | C1(C(CC(O)C)C1)(O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959645 |