SpectraBase Spectrum ID |
1ONE1KD9AGv |
Name |
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.292600195 u |
Formula |
C20H37N |
InChI |
InChI=1S/C20H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19(20)2/h9-10,20H,3-8,11-18H2,1-2H3/b10-9- |
InChIKey |
FWSSLXUYBRZUKY-KTKRTIGZSA-N |
Molecular Weight |
291.523 g/mol |
SMILES |
C1C(C(C)=NC1)CCCCCC\C=C/CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959191 |