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N-Benzyliminodiethyl di-m-tolylcarbamate

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Benzyliminodiethyl di-m-tolylcarbamate
SpectraBase Compound ID APNpS90VGdg
InChI InChI=1S/C27H31N3O4/c1-21-8-6-12-24(18-21)28-26(31)33-16-14-30(20-23-10-4-3-5-11-23)15-17-34-27(32)29-25-13-7-9-22(2)19-25/h3-13,18-19H,14-17,20H2,1-2H3,(H,28,31)(H,29,32)
InChIKey HMDARVHWGHINSZ-UHFFFAOYSA-N
Mol Weight 461.56 g/mol
Molecular Formula C27H31N3O4
Exact Mass 461.231456 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6lpFLnDvHOn
Name N-Benzyliminodiethyl di-m-tolylcarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.231456486 u
Formula C27H31N3O4
InChI InChI=1S/C27H31N3O4/c1-21-8-6-12-24(18-21)28-26(31)33-16-14-30(20-23-10-4-3-5-11-23)15-17-34-27(32)29-25-13-7-9-22(2)19-25/h3-13,18-19H,14-17,20H2,1-2H3,(H,28,31)(H,29,32)
InChIKey HMDARVHWGHINSZ-UHFFFAOYSA-N
Molecular Weight 461.562 g/mol
SMILES C1=CC=C(C=C1C)NC(OCCN(CC1=CC=CC=C1)CCOC(=O)NC1=CC(=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908453