SpectraBase Spectrum ID |
K3NLESH4Fcl |
Name |
1,3-Diazabicyclo[4.4.0]decan-4-one, 3-[3-(1,3-dioxolan-2-yl)propyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
268.178692638 u |
Formula |
C14H24N2O3 |
InChI |
InChI=1S/C14H24N2O3/c17-13-10-12-4-1-2-6-15(12)11-16(13)7-3-5-14-18-8-9-19-14/h12,14H,1-11H2 |
InChIKey |
FSYXJJLVTSETLV-UHFFFAOYSA-N |
Molecular Weight |
268.357 g/mol |
SMILES |
C1CCCC2N1CN(C(C2)=O)CCCC1OCCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863407 |