SpectraBase Compound ID | D548vlubmcA |
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InChI | InChI=1S/C6H11NO3/c8-3-1-7-2-4-10-5-6(7)9/h8H,1-5H2 |
InChIKey | NLQNYAFMZKEJEO-UHFFFAOYSA-N |
Mol Weight | 145.16 g/mol |
Molecular Formula | C6H11NO3 |
Exact Mass | 145.073893 g/mol |
SpectraBase Spectrum ID | AWseM3mR2Gu |
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Name | 4-(2-Hydroxyethyl)morpholin-3-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 145.073893215 u |
Formula | C6H11NO3 |
InChI | InChI=1S/C6H11NO3/c8-3-1-7-2-4-10-5-6(7)9/h8H,1-5H2 |
InChIKey | NLQNYAFMZKEJEO-UHFFFAOYSA-N |
SMILES | C1(N(CCOC1)CCO)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980544 |