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1,1,2,3,3,4,7-Heptamethyl-5-phenyl-2,3-dihydro-1H-isoindole

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

1,1,2,3,3,4,7-Heptamethyl-5-phenyl-2,3-dihydro-1H-isoindole
SpectraBase Compound ID FiPAfTXriGK
InChI InChI=1S/C21H27N/c1-14-13-17(16-11-9-8-10-12-16)15(2)19-18(14)20(3,4)22(7)21(19,5)6/h8-13H,1-7H3
InChIKey VHPKECBPSFMMQW-UHFFFAOYSA-N
Mol Weight 293.45 g/mol
Molecular Formula C21H27N
Exact Mass 293.21435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7IS2na7wbM0
Name 1,1,2,3,3,4,7-Heptamethyl-5-phenyl-2,3-dihydro-1H-isoindole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.214349873 u
Formula C21H27N
InChI InChI=1S/C21H27N/c1-14-13-17(16-11-9-8-10-12-16)15(2)19-18(14)20(3,4)22(7)21(19,5)6/h8-13H,1-7H3
InChIKey VHPKECBPSFMMQW-UHFFFAOYSA-N
SMILES C1(N(C(C=2C(=CC(=C(C12)C)C1=CC=CC=C1)C)(C)C)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944631