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3-Isopropyl-4-methyl-1,2-diphenyl-pentane-1,3-diol
SpectraBase Compound ID 9rtCDRZnZmF
InChI InChI=1S/C21H28O2/c1-15(2)21(23,16(3)4)19(17-11-7-5-8-12-17)20(22)18-13-9-6-10-14-18/h5-16,19-20,22-23H,1-4H3
InChIKey ZCIUHDUIMKXGPK-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Y2o3ZC2Km
Name 3-Isopropyl-4-methyl-1,2-diphenyl-pentane-1,3-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-15(2)21(23,16(3)4)19(17-11-7-5-8-12-17)20(22)18-13-9-6-10-14-18/h5-16,19-20,22-23H,1-4H3
InChIKey ZCIUHDUIMKXGPK-UHFFFAOYSA-N
Molecular Weight 312.453 g/mol
SMILES OC(C(C(c1ccccc1)O)c1ccccc1)(C(C)C)C(C)C
SPLASH splash10-0092-4900000000-e6a2cdbb2e9f5a4c738f
Source of Spectrum KC-61-3870-6
Synonyms (1S*,2R*)-3-Isopropyl-4-methyl-1,2-diphenyl-1,3-propanediol 3-isopropyl-4-methyl-1,2-diphenyl-1,3-pentanediol
Wiley ID 1628633