SpectraBase Spectrum ID |
EDjcHqHzMKH |
Name |
N-cis-Hexadec-9-enoyl-L-homoserine lactone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
337.261693988 u |
Formula |
C20H35NO3 |
InChI |
InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,18H,2-6,9-17H2,1H3,(H,21,22)/b8-7- |
InChIKey |
BDQHAQLGRDSHKW-FPLPWBNLSA-N |
Molecular Weight |
337.504 g/mol |
SMILES |
CCCCCC\C=C/CCCCCCCC(=O)NC1CCOC1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932392 |