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N-Allyl-N-(benzo[D][1,3]dioxol-5-ylmethyl)-2-methylnon-4-yn-3-amine
SpectraBase Compound ID I39mGH2Q5lw
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
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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