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Ethyl N-cyano-N-[3'-(N'-phthalimidyl)propyl]carbamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ethyl N-cyano-N-[3'-(N'-phthalimidyl)propyl]carbamate
SpectraBase Compound ID AJR4WadXHEM
InChI InChI=1S/C15H15N3O4/c1-2-22-15(21)17(10-16)8-5-9-18-13(19)11-6-3-4-7-12(11)14(18)20/h3-4,6-7H,2,5,8-9H2,1H3
InChIKey FNGABTDSRQJHQF-UHFFFAOYSA-N
Mol Weight 301.3 g/mol
Molecular Formula C15H15N3O4
Exact Mass 301.106256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BofCtOsZdYI
Name Ethyl N-cyano-N-[3'-(N'-phthalimidyl)propyl]carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.106255971 u
Formula C15H15N3O4
InChI InChI=1S/C15H15N3O4/c1-2-22-15(21)17(10-16)8-5-9-18-13(19)11-6-3-4-7-12(11)14(18)20/h3-4,6-7H,2,5,8-9H2,1H3
InChIKey FNGABTDSRQJHQF-UHFFFAOYSA-N
SMILES C1(N(C(C2=CC=CC=C12)=O)CCCN(C(=O)OCC)C#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936158