SpectraBase Spectrum ID |
JKN4Cf4d9nE |
Name |
Propyl (4-((propoxycarbonyl)oxy)butyl)carbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.157622840 u |
Formula |
C12H23NO5 |
InChI |
InChI=1S/C12H23NO5/c1-3-8-16-11(14)13-7-5-6-10-18-12(15)17-9-4-2/h3-10H2,1-2H3,(H,13,14) |
InChIKey |
CGPLRQYBCCBPAS-UHFFFAOYSA-N |
Molecular Weight |
261.318 g/mol |
SMILES |
C(NC(=O)OCCC)CCCOC(OCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969064 |