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5-phenyl-6,7,8,9-tetrahydro-5H-benzocycloheptane

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

5-phenyl-6,7,8,9-tetrahydro-5H-benzocycloheptane
SpectraBase Compound ID CeA0MDL0Jda
InChI InChI=1S/C17H18/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-3,5,7-9,11,13,16H,4,6,10,12H2
InChIKey UYQXAXXXMIEYGP-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C17H18
Exact Mass 222.140851 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 15hGQT3fgg6
Name 5-Phenyl-6,7,8,9-tetrahydro-5H-benzocycloheptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.140850580 u
Formula C17H18
InChI InChI=1S/C17H18/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-3,5,7-9,11,13,16H,4,6,10,12H2
InChIKey UYQXAXXXMIEYGP-UHFFFAOYSA-N
Molecular Weight 222.331 g/mol
SMILES C=12C=CC=CC1CCCCC2C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.878835