SpectraBase Compound ID | 2TzcsxL9Def |
---|---|
InChI | InChI=1S/C11H22N2O/c1-2-9-14-11(4-1)10-12-5-3-6-13-7-8-13/h11-12H,1-10H2 |
InChIKey | MSZJCUHYASZLBH-UHFFFAOYSA-N |
Mol Weight | 198.31 g/mol |
Molecular Formula | C11H22N2O |
Exact Mass | 198.173213 g/mol |
SpectraBase Spectrum ID | 2eizMvtRPQh |
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Name | 2-[3-[N-Aziridyl]propyl]aminomethyltetrahydropyran |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 198.173213335 u |
Formula | C11H22N2O |
InChI | InChI=1S/C11H22N2O/c1-2-9-14-11(4-1)10-12-5-3-6-13-7-8-13/h11-12H,1-10H2 |
InChIKey | MSZJCUHYASZLBH-UHFFFAOYSA-N |
Molecular Weight | 198.310 g/mol |
SMILES | C(NCC1OCCCC1)CCN1CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956008 |