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2C-tbu N-3-Methylbenzyl

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2C-tbu N-3-Methylbenzyl
SpectraBase Compound ID 1fYvgs8zLHU
InChI InChI=1S/C22H31NO2/c1-16-8-7-9-17(12-16)15-23-11-10-18-13-21(25-6)19(22(2,3)4)14-20(18)24-5/h7-9,12-14,23H,10-11,15H2,1-6H3
InChIKey OJUVTTXNIGDONR-UHFFFAOYSA-N
Mol Weight 341.5 g/mol
Molecular Formula C22H31NO2
Exact Mass 341.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J6jRRQVEl4S
Name 2C-tbu N-3-Methylbenzyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.235479240 u
Formula C22H31NO2
InChI InChI=1S/C22H31NO2/c1-16-8-7-9-17(12-16)15-23-11-10-18-13-21(25-6)19(22(2,3)4)14-20(18)24-5/h7-9,12-14,23H,10-11,15H2,1-6H3
InChIKey OJUVTTXNIGDONR-UHFFFAOYSA-N
Molecular Weight 341.495 g/mol
SMILES C1(=C(C(C)(C)C)C=C(C(=C1)CCNCC=1C=C(C=CC1)C)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937679