SpectraBase Compound ID | 6KSykOsHi2k |
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InChI | InChI=1S/C9H13NO2/c1-4-6-2-11-8(4)10-9-5(1)7(6)3-12-9/h4-10H,1-3H2 |
InChIKey | VDXBIPUJUAEMGS-UHFFFAOYSA-N |
Mol Weight | 167.21 g/mol |
Molecular Formula | C9H13NO2 |
Exact Mass | 167.094629 g/mol |
SpectraBase Spectrum ID | Ic1VhqWyvYq |
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Name | 4-aza-2,6-Dioxatetracyclo[3.2.1.1(1,3).1(5,7)]dodecane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 167.094628661 u |
Formula | C9H13NO2 |
InChI | InChI=1S/C9H13NO2/c1-4-6-2-11-8(4)10-9-5(1)7(6)3-12-9/h4-10H,1-3H2 |
InChIKey | VDXBIPUJUAEMGS-UHFFFAOYSA-N |
Molecular Weight | 167.208 g/mol |
SMILES | C12NC3C4C(C(C2C4)CO1)CO3 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862974 |