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2,4,6-Tris(3',5'-di-tert-butyl-4'-hydroxybenzyl)mesitylene

View entire compound with spectra: 1 Raman

2,4,6-Tris(3',5'-di-tert-butyl-4'-hydroxybenzyl)mesitylene
SpectraBase Compound ID KYGNbKzu2j3
InChI InChI=1S/C54H78O3/c1-31-37(24-34-26-41(50(7,8)9)46(55)42(27-34)51(10,11)12)32(2)39(30-36-22-23-40(49(4,5)6)48(57)45(36)54(19,20)21)33(3)38(31)25-35-28-43(52(13,14)15)47(56)44(29-35)53(16,17)18/h22-23,26-29,55-57H,24-25,30H2,1-21H3
InChIKey QOZCYBGNVRSZCF-UHFFFAOYSA-N
Mol Weight 775.2 g/mol
Molecular Formula C54H78O3
Exact Mass 774.595096 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID L7t8ZSZ0a5f
Name 2,4,6-Tris(3',5'-di-tert-butyl-4'-hydroxybenzyl)mesitylene
Source of Sample TCI America
Catalog Number T0916
Lot Number BU5HG-AA
CAS Registry Number 1709-70-2
Cell Type NMR tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H78O3
InChI InChI=1S/C54H78O3/c1-31-37(24-34-26-41(50(7,8)9)46(55)42(27-34)51(10,11)12)32(2)39(30-36-22-23-40(49(4,5)6)48(57)45(36)54(19,20)21)33(3)38(31)25-35-28-43(52(13,14)15)47(56)44(29-35)53(16,17)18/h22-23,26-29,55-57H,24-25,30H2,1-21H3
InChIKey QOZCYBGNVRSZCF-UHFFFAOYSA-N
Molecular Weight 775.215 g/mol
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 621 mW
Raman Laser Source Nd:YAG
SMILES Oc1c(cc(Cc2c(c(c(c(Cc3c(c(c(cc3)C(C)(C)C)O)C(C)(C)C)c2C)C)Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C)cc1C(C)(C)C)C(C)(C)C
Scans Performed 4416
Source of Spectrum Forensic Spectral Research
Technique FT-Raman