SpectraBase Compound ID | AXiE8KazlKp |
---|---|
InChI | InChI=1S/C11H13NO2/c13-8-10-7-12(11(10)14)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2 |
InChIKey | JVZQUSUZFSHVCI-UHFFFAOYSA-N |
Mol Weight | 191.23 g/mol |
Molecular Formula | C11H13NO2 |
Exact Mass | 191.094629 g/mol |
SpectraBase Spectrum ID | KrCqlHbnJ58 |
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Name | N-Benzyl-3-hydroxymethylazetidin-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 191.094628661 u |
Formula | C11H13NO2 |
InChI | InChI=1S/C11H13NO2/c13-8-10-7-12(11(10)14)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2 |
InChIKey | JVZQUSUZFSHVCI-UHFFFAOYSA-N |
Molecular Weight | 191.230 g/mol |
SMILES | C1(N(CC1CO)CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960107 |