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Benzene, 1,3-bis(2,2-dimethylpropyl)-5-iodo-2,4,6-trimethyl-

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

Benzene, 1,3-bis(2,2-dimethylpropyl)-5-iodo-2,4,6-trimethyl-
SpectraBase Compound ID HHZ9idsfjo8
InChI InChI=1S/C19H31I/c1-12-15(10-18(4,5)6)13(2)17(20)14(3)16(12)11-19(7,8)9/h10-11H2,1-9H3
InChIKey QRWQVDZBPWKBLC-UHFFFAOYSA-N
Mol Weight 386.36 g/mol
Molecular Formula C19H31I
Exact Mass 386.147046 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7nrWValAfIq
Name Benzene, 1,3-bis(2,2-dimethylpropyl)-5-iodo-2,4,6-trimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.147045998 u
Formula C19H31I
InChI InChI=1S/C19H31I/c1-12-15(10-18(4,5)6)13(2)17(20)14(3)16(12)11-19(7,8)9/h10-11H2,1-9H3
InChIKey QRWQVDZBPWKBLC-UHFFFAOYSA-N
Molecular Weight 386.361 g/mol
SMILES C1(=C(C(CC(C)(C)C)=C(C(=C1C)I)C)C)CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912876