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3H-Indole, 6-(1,1-dimethylethyl)-3,3-dimethyl-, 1-oxide

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

3H-Indole, 6-(1,1-dimethylethyl)-3,3-dimethyl-, 1-oxide
SpectraBase Compound ID 8AJOFicUvIq
InChI InChI=1S/C14H19NO/c1-13(2,3)10-6-7-11-12(8-10)15(16)9-14(11,4)5/h6-9H,1-5H3
InChIKey BNXOPIZZRGOZSX-UHFFFAOYSA-N
Mol Weight 217.31 g/mol
Molecular Formula C14H19NO
Exact Mass 217.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dilr1sEtw2d
Name 3H-Indole, 6-(1,1-dimethylethyl)-3,3-dimethyl-, 1-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.146664235 u
Formula C14H19NO
InChI InChI=1S/C14H19NO/c1-13(2,3)10-6-7-11-12(8-10)15(16)9-14(11,4)5/h6-9H,1-5H3
InChIKey BNXOPIZZRGOZSX-UHFFFAOYSA-N
Molecular Weight 217.312 g/mol
SMILES C1=2[N+](=CC(C2C=CC(=C1)C(C)(C)C)(C)C)[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934059