SpectraBase Spectrum ID |
ISSpkCiY2eP |
Name |
9-Dodecenoic acid, dmox derivative |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
251.224914557 u |
Formula |
C16H29NO |
InChI |
InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h5-6H,4,7-14H2,1-3H3/b6-5- |
InChIKey |
YOAQXFRSXOZXQL-WAYWQWQTSA-N |
Molecular Weight |
251.414 g/mol |
SMILES |
C(C\C=C/CC)CCCCCC=1OCC(N1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972047 |