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1H-Isoindole-1,3(2H)-dione, 2-(2-bromo-3,3-dimethylbutyl)-

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

1H-Isoindole-1,3(2H)-dione, 2-(2-bromo-3,3-dimethylbutyl)-
SpectraBase Compound ID LRZYcEyQdyG
InChI InChI=1S/C14H16BrNO2/c1-14(2,3)11(15)8-16-12(17)9-6-4-5-7-10(9)13(16)18/h4-7,11H,8H2,1-3H3
InChIKey YJOIMVCSECCIET-UHFFFAOYSA-N
Mol Weight 310.19 g/mol
Molecular Formula C14H16BrNO2
Exact Mass 309.036442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CT6hhuIOjPA
Name 1H-Isoindole-1,3(2H)-dione, 2-(2-bromo-3,3-dimethylbutyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.036441757 u
Formula C14H16BrNO2
InChI InChI=1S/C14H16BrNO2/c1-14(2,3)11(15)8-16-12(17)9-6-4-5-7-10(9)13(16)18/h4-7,11H,8H2,1-3H3
InChIKey YJOIMVCSECCIET-UHFFFAOYSA-N
Molecular Weight 310.191 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)CC(C(C)(C)C)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952466