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5-Octyn-2-one, 7-hydroxy-4,7-dimethyl-1,1,1-triphenyl-, (.+-.)-
SpectraBase Compound ID 8O1kE6v5sx9
InChI InChI=1S/C28H28O2/c1-22(19-20-27(2,3)30)21-26(29)28(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,30H,21H2,1-3H3
InChIKey LVJGTLBMZHVOEC-UHFFFAOYSA-N
Mol Weight 396.53 g/mol
Molecular Formula C28H28O2
Exact Mass 396.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sEk7owzWJF
Name 5-Octyn-2-one, 7-hydroxy-4,7-dimethyl-1,1,1-triphenyl-, (.+-.)-
Alternate Name(s) 7-Hydroxy-4,7-dimethyl-1,1,1-triphenyl-5-octin-2-on 7-Hydroxy-4,7-dimethyl-1,1,1-triphenyl-5-octyn-2-one
CAS Registry Number 97991-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O2
InChI InChI=1S/C28H28O2/c1-22(19-20-27(2,3)30)21-26(29)28(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,30H,21H2,1-3H3
InChIKey LVJGTLBMZHVOEC-UHFFFAOYSA-N
Molecular Weight 396.530 g/mol
SMILES OC(C#CC(CC(C(c1ccccc1)(c1ccccc1)c1ccccc1)=O)C)(C)C
SPLASH splash10-0002-0190000000-efc88c9efa419a5ab7f8
Source of Spectrum H-68-277-7
Wiley ID 1367766