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1,5-Pentanediol, 3,3-diphenyl-, bis(4-methylbenzenesulfonate)
SpectraBase Compound ID 1GY93GAL4TG
InChI InChI=1S/C31H32O6S2/c1-25-13-17-29(18-14-25)38(32,33)36-23-21-31(27-9-5-3-6-10-27,28-11-7-4-8-12-28)22-24-37-39(34,35)30-19-15-26(2)16-20-30/h3-20H,21-24H2,1-2H3
InChIKey HJVAUZNGFDSHGT-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C31H32O6S2
Exact Mass 564.164031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gyx2EpyF8Vf
Name 1,5-Pentanediol, 3,3-diphenyl-, bis(4-methylbenzenesulfonate)
Alternate Name(s) 1,5-Ditosyloxy-3,3-diphenyl-pentane 5-{[(4-methylphenyl)sulfonyl]oxy}-3,3-diphenylpentyl 4-methylbenzenesulfonate
CAS Registry Number 96184-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32O6S2
InChI InChI=1S/C31H32O6S2/c1-25-13-17-29(18-14-25)38(32,33)36-23-21-31(27-9-5-3-6-10-27,28-11-7-4-8-12-28)22-24-37-39(34,35)30-19-15-26(2)16-20-30/h3-20H,21-24H2,1-2H3
InChIKey HJVAUZNGFDSHGT-UHFFFAOYSA-N
Molecular Weight 564.711 g/mol
SMILES c1(S(=O)(=O)OCCC(c2ccccc2)(c2ccccc2)CCOS(c2ccc(cc2)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-0900000000-6b6f0bd4d8dea503e542
Source of Spectrum K-118-835-25
Wiley ID 1407134