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1-Allyl-2,4,7-trimethyl-1H-indene

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

1-Allyl-2,4,7-trimethyl-1H-indene
SpectraBase Compound ID 3MhKK2sCSnZ
InChI InChI=1S/C15H18/c1-5-6-13-12(4)9-14-10(2)7-8-11(3)15(13)14/h5,7-9,13H,1,6H2,2-4H3
InChIKey QBICMLPNNQPNNL-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C15H18
Exact Mass 198.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EXINgxIV2sv
Name 1-Allyl-2,4,7-trimethyl-1H-indene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.140850580 u
Formula C15H18
InChI InChI=1S/C15H18/c1-5-6-13-12(4)9-14-10(2)7-8-11(3)15(13)14/h5,7-9,13H,1,6H2,2-4H3
InChIKey QBICMLPNNQPNNL-UHFFFAOYSA-N
Molecular Weight 198.309 g/mol
SMILES C1=C(C2=C(C(=C1)C)C(C(=C2)C)CC=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971722