SpectraBase Spectrum ID |
5kO44yvqCXL |
Name |
N-Allyl-N-(benzo[D][1,3]dioxol-5-ylmethyl)-2-methylnon-4-yn-3-amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
327.219829176 u |
Formula |
C21H29NO2 |
InChI |
InChI=1S/C21H29NO2/c1-5-7-8-9-10-19(17(3)4)22(13-6-2)15-18-11-12-20-21(14-18)24-16-23-20/h6,11-12,14,17,19H,2,5,7-8,13,15-16H2,1,3-4H3 |
InChIKey |
HVLGOKNHOULPQY-UHFFFAOYSA-N |
Molecular Weight |
327.468 g/mol |
SMILES |
CC(C(C#CCCCC)N(CC1=CC=C2OCOC2=C1)CC=C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895569 |