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2,6-Ditert-butyl-4-methylphenyl phenylcarbamate
SpectraBase Compound ID 4PCe87bTOLa
InChI InChI=1S/C22H29NO2/c1-15-13-17(21(2,3)4)19(18(14-15)22(5,6)7)25-20(24)23-16-11-9-8-10-12-16/h8-14H,1-7H3,(H,23,24)
InChIKey BXLJHGTVKZJTRL-UHFFFAOYSA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 99z8434Ngt
Name 2,6-Ditert-butyl-4-methylphenyl phenylcarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.219829176 u
Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-15-13-17(21(2,3)4)19(18(14-15)22(5,6)7)25-20(24)23-16-11-9-8-10-12-16/h8-14H,1-7H3,(H,23,24)
InChIKey BXLJHGTVKZJTRL-UHFFFAOYSA-N
Molecular Weight 339.479 g/mol
SMILES N(C(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)=O)c1ccccc1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917681