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2-Tert-butyl-4,6-dineopentylbenzo[B]theite sulfoxide

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

2-Tert-butyl-4,6-dineopentylbenzo[B]theite sulfoxide
SpectraBase Compound ID G0IDb67MlwG
InChI InChI=1S/C21H34OS/c1-19(2,3)12-14-10-15(13-20(4,5)6)17-16(11-14)18(23(17)22)21(7,8)9/h10-11,17H,12-13H2,1-9H3
InChIKey YNZSHMZSSSEJNI-UHFFFAOYSA-N
Mol Weight 334.6 g/mol
Molecular Formula C21H34OS
Exact Mass 334.233037 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3jOdX8k8fCd
Name 2-Tert-butyl-4,6-dineopentylbenzo[B]theite sulfoxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.233036888 u
Formula C21H34OS
InChI InChI=1S/C21H34OS/c1-19(2,3)12-14-10-15(13-20(4,5)6)17-16(11-14)18(23(17)22)21(7,8)9/h10-11,17H,12-13H2,1-9H3
InChIKey YNZSHMZSSSEJNI-UHFFFAOYSA-N
Molecular Weight 334.562 g/mol
SMILES C=1(S(C2C1C=C(C=C2CC(C)(C)C)CC(C)(C)C)=O)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970969