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2-Pentanone, 4-(1,3-dithian-2-yl)-1,1,1-triphenyl-

View entire compound with spectra: 2 MS (GC)

2-Pentanone, 4-(1,3-dithian-2-yl)-1,1,1-triphenyl-
SpectraBase Compound ID 4BQmx51RJwk
InChI InChI=1S/C27H28OS2/c1-21(26-29-18-11-19-30-26)20-25(28)27(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,21,26H,11,18-20H2,1H3
InChIKey VXRBNGUGQXEQEL-UHFFFAOYSA-N
Mol Weight 432.64 g/mol
Molecular Formula C27H28OS2
Exact Mass 432.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ppgqlewej4
Name 2-Pentanone, 4-(1,3-dithian-2-yl)-1,1,1-triphenyl-
CAS Registry Number 72252-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28OS2
InChI InChI=1S/C27H28OS2/c1-21(26-29-18-11-19-30-26)20-25(28)27(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,21,26H,11,18-20H2,1H3
InChIKey VXRBNGUGQXEQEL-UHFFFAOYSA-N
Molecular Weight 432.640 g/mol
SMILES C1(SCCCS1)C(C)CC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-000f-4950000000-a6e70394a7cb059a7cc9
Synonyms 4-(1,3-Dithian-2-yl)-1,1,1-triphenyl-2-pentanone 4-(1,3-dithian-2-yl)-1,1,1-triphenyl-pentan-2-one
Wiley ID 1478032