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(+/-)-Cis-1-methyl-3-phenylindane

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

(+/-)-Cis-1-methyl-3-phenylindane
SpectraBase Compound ID 9ZGe7HeGQWA
InChI InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKey JHIDJKSBZPNVKZ-MLGOLLRUSA-N
Mol Weight 208.3 g/mol
Molecular Formula C16H16
Exact Mass 208.125201 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FZm7Fyh759Z
Name (+/-)-cis-1-methyl-3-phenylindane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.125200515 u
Formula C16H16
InChI InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChIKey JHIDJKSBZPNVKZ-MLGOLLRUSA-N
Molecular Weight 208.304 g/mol
SMILES [C@@]1(C[C@@](C=2C=CC=CC12)(C=1C=CC=CC1)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980954