SpectraBase Compound ID | 373DNssgHNs |
---|---|
InChI | InChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3/b9-3+ |
InChIKey | VUCADQPLAZHWRK-YCRREMRBSA-N |
Mol Weight | 166.22 g/mol |
Molecular Formula | C9H14N2O |
Exact Mass | 166.110613 g/mol |
SpectraBase Spectrum ID | ErMKezWfwcH |
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Name | 2-Morpholino-2-pentenenitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.110613078 u |
Formula | C9H14N2O |
InChI | InChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3/b9-3+ |
InChIKey | VUCADQPLAZHWRK-YCRREMRBSA-N |
Molecular Weight | 166.224 g/mol |
SMILES | C(\C(=C/CC)N1CCOCC1)#N |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955947 |