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2-Bromo-7,7-diphenyl-1-cyclohepten-1-ol, acetate

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

2-Bromo-7,7-diphenyl-1-cyclohepten-1-ol, acetate
SpectraBase Compound ID BbhQHVDItNO
InChI InChI=1S/C21H21BrO2/c1-16(23)24-20-19(22)14-8-9-15-21(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3
InChIKey VOXYEQAVFBHLHR-UHFFFAOYSA-N
Mol Weight 385.3 g/mol
Molecular Formula C21H21BrO2
Exact Mass 384.072493 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1sgxwrGdRBl
Name 2-Bromo-7,7-diphenyl-1-cyclohepten-1-ol, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.072492914 u
Formula C21H21BrO2
InChI InChI=1S/C21H21BrO2/c1-16(23)24-20-19(22)14-8-9-15-21(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3
InChIKey VOXYEQAVFBHLHR-UHFFFAOYSA-N
Molecular Weight 385.301 g/mol
SMILES C1CCC(=C(C(C1)(C=1C=CC=CC1)C=1C=CC=CC1)OC(=O)C)Br
Spectrum/Structure Validation Score (Raman) 0.974523