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1,2-Dimethyl-4-tertbutyl-6-cyclopentylbenzene

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1,2-Dimethyl-4-tertbutyl-6-cyclopentylbenzene
SpectraBase Compound ID 2LnEbsFJA0k
InChI InChI=1S/C17H26/c1-12-10-15(17(3,4)5)11-16(13(12)2)14-8-6-7-9-14/h10-11,14H,6-9H2,1-5H3
InChIKey FQMCRKMDOWOSQI-UHFFFAOYSA-N
Mol Weight 230.39 g/mol
Molecular Formula C17H26
Exact Mass 230.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IeaMN8z23C2
Name 1,2-Dimethyl-4-tertbutyl-6-cyclopentylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.203450837 u
Formula C17H26
InChI InChI=1S/C17H26/c1-12-10-15(17(3,4)5)11-16(13(12)2)14-8-6-7-9-14/h10-11,14H,6-9H2,1-5H3
InChIKey FQMCRKMDOWOSQI-UHFFFAOYSA-N
Molecular Weight 230.395 g/mol
SMILES C1(=CC(=C(C(=C1)C)C)C1CCCC1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865434