SpectraBase Spectrum ID |
9ZJr1f31jPr |
Name |
N-Acetyl-1-acetoxy-10-aza-spiro[5.5]bicycloundecane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.167793602 u |
Formula |
C14H23NO3 |
InChI |
InChI=1S/C14H23NO3/c1-11(16)15-9-5-8-14(10-15)7-4-3-6-13(14)18-12(2)17/h13H,3-10H2,1-2H3 |
InChIKey |
QNKRSEUKUUAGEW-UHFFFAOYSA-N |
Molecular Weight |
253.342 g/mol |
SMILES |
C1N(CCCC11C(OC(=O)C)CCCC1)C(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867834 |