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(4RS,5RS)-2,4,6-Trimethyl-3,5,6-tris(phenylthio)hept-2-ene
SpectraBase Compound ID 8wWo5yknXiu
InChI InChI=1S/C28H32S3/c1-21(2)26(29-23-15-9-6-10-16-23)22(3)27(30-24-17-11-7-12-18-24)28(4,5)31-25-19-13-8-14-20-25/h6-20,22,27H,1-5H3
InChIKey KVLFQAHTPFGNPB-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H32S3
Exact Mass 464.166615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBY9fbimsy9
Name (4RS,5RS)-2,4,6-Trimethyl-3,5,6-tris(phenylthio)hept-2-ene
Alternate Name(s) {[1,1,3,5-tetramethyl-2,4-bis(phenylsulfanyl)-4-hexenyl]sulfanyl}benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32S3
InChI InChI=1S/C28H32S3/c1-21(2)26(29-23-15-9-6-10-16-23)22(3)27(30-24-17-11-7-12-18-24)28(4,5)31-25-19-13-8-14-20-25/h6-20,22,27H,1-5H3
InChIKey KVLFQAHTPFGNPB-UHFFFAOYSA-N
Molecular Weight 464.744 g/mol
SMILES C(C(C(C(Sc1ccccc1)(C)C)Sc1ccccc1)C)(Sc1ccccc1)=C(C)C
SPLASH splash10-0gw1-0940000000-633b79c747f51fe4deec
Source of Spectrum KC-0-2960-17
Wiley ID 782387