SpectraBase Spectrum ID |
4f0Y3yVzD2K |
Name |
Carbonic acid, monoamide, N-undecyl-, 3-chloropropyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.196506908 u |
Formula |
C15H30ClNO2 |
InChI |
InChI=1S/C15H30ClNO2/c1-2-3-4-5-6-7-8-9-10-13-17-15(18)19-14-11-12-16/h2-14H2,1H3,(H,17,18) |
InChIKey |
IKMYGHXMXPOJHH-UHFFFAOYSA-N |
SMILES |
C(CCNC(OCCCCl)=O)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861059 |