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Trans-(1S,2S)-2-((E)-1-hexenyl)-1-methyl-2,3-dihydro-1H-indene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Trans-(1S,2S)-2-((E)-1-hexenyl)-1-methyl-2,3-dihydro-1H-indene
SpectraBase Compound ID IURuvbrcKlJ
InChI InChI=1S/C16H22/c1-3-4-5-6-9-14-12-15-10-7-8-11-16(15)13(14)2/h6-11,13-14H,3-5,12H2,1-2H3/b9-6+/t13-,14+/m0/s1
InChIKey UZCUFMPPNNHEJP-YESVKVCSSA-N
Mol Weight 214.35 g/mol
Molecular Formula C16H22
Exact Mass 214.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9nZI28EuKGj
Name Trans-(1S,2S)-2-((E)-1-hexenyl)-1-methyl-2,3-dihydro-1H-indene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.172150708 u
Formula C16H22
InChI InChI=1S/C16H22/c1-3-4-5-6-9-14-12-15-10-7-8-11-16(15)13(14)2/h6-11,13-14H,3-5,12H2,1-2H3/b9-6+/t13-,14+/m0/s1
InChIKey UZCUFMPPNNHEJP-YESVKVCSSA-N
Molecular Weight 214.352 g/mol
SMILES C1=2[C@]([C@](\C=C\CCCC)(CC2C=CC=C1)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946301