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3-Methyl-7-phenyl-3-phenylthioheptan-2-ol
SpectraBase Compound ID G5Dhxnm0dMR
InChI InChI=1S/C20H26OS/c1-17(21)20(2,22-19-14-7-4-8-15-19)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15,17,21H,9-10,13,16H2,1-2H3
InChIKey KRQHTJYZRQPXDP-UHFFFAOYSA-N
Mol Weight 314.49 g/mol
Molecular Formula C20H26OS
Exact Mass 314.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbYf0jatnSs
Name 3-Methyl-7-phenyl-3-phenylthioheptan-2-ol
CAS Registry Number 117749-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26OS
InChI InChI=1S/C20H26OS/c1-17(21)20(2,22-19-14-7-4-8-15-19)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15,17,21H,9-10,13,16H2,1-2H3
InChIKey KRQHTJYZRQPXDP-UHFFFAOYSA-N
Molecular Weight 314.487 g/mol
SMILES OC(C(Sc1ccccc1)(CCCCc1ccccc1)C)C
SPLASH splash10-0296-8920000000-1fcd032fcc153c846c7b
Source of Spectrum KC-1987-2583-7
Synonyms isomer-3-methyl-7-phenyl-3-phenylthioheptan-2-ol 3-Methyl-7-phenyl-3-(phenylsulfanyl)-2-heptanol
Wiley ID 1315388