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3H-Indole, 7-chloro-6-(1,1-dimethylethyl)-3,3-dimethyl-

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

3H-Indole, 7-chloro-6-(1,1-dimethylethyl)-3,3-dimethyl-
SpectraBase Compound ID 1Au80djvJMb
InChI InChI=1S/C14H18ClN/c1-13(2,3)9-6-7-10-12(11(9)15)16-8-14(10,4)5/h6-8H,1-5H3
InChIKey KWXNQVPCNOBGSO-UHFFFAOYSA-N
Mol Weight 235.76 g/mol
Molecular Formula C14H18ClN
Exact Mass 235.112777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L54bDV8OgLo
Name 3H-Indole, 7-chloro-6-(1,1-dimethylethyl)-3,3-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.112777284 u
Formula C14H18ClN
InChI InChI=1S/C14H18ClN/c1-13(2,3)9-6-7-10-12(11(9)15)16-8-14(10,4)5/h6-8H,1-5H3
InChIKey KWXNQVPCNOBGSO-UHFFFAOYSA-N
Molecular Weight 235.758 g/mol
SMILES C=12N=CC(C1C=CC(=C2Cl)C(C)(C)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885559