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Carbonic acid, monoamide, N-benzyl-N-heptyl-, allyl ester

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Carbonic acid, monoamide, N-benzyl-N-heptyl-, allyl ester
SpectraBase Compound ID H11fmmFWzyU
InChI InChI=1S/C18H27NO2/c1-3-5-6-7-11-14-19(18(20)21-15-4-2)16-17-12-9-8-10-13-17/h4,8-10,12-13H,2-3,5-7,11,14-16H2,1H3
InChIKey KSINTYHMBCKMNP-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9txdHcneojF
Name Carbonic acid, monoamide, N-benzyl-N-heptyl-, allyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-3-5-6-7-11-14-19(18(20)21-15-4-2)16-17-12-9-8-10-13-17/h4,8-10,12-13H,2-3,5-7,11,14-16H2,1H3
InChIKey KSINTYHMBCKMNP-UHFFFAOYSA-N
SMILES C=CCOC(=O)N(CCCCCCC)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912613