SpectraBase Spectrum ID |
DAwd13DgVJ6 |
Name |
Carbonic acid, monoamide, N-dodecyl-, 3-chloropropyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
305.212156972 u |
Formula |
C16H32ClNO2 |
InChI |
InChI=1S/C16H32ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-16(19)20-15-12-13-17/h2-15H2,1H3,(H,18,19) |
InChIKey |
GDTDNRYGQJCRJU-UHFFFAOYSA-N |
Molecular Weight |
305.890 g/mol |
SMILES |
C(CCNC(OCCCCl)=O)CCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817758 |