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4,6-Heptadien-1-ol, 3-(methoxymethoxy)-5-(phenylthio)-, 4-methylbenzenesulfonate, (Z)-(.+-.)-
SpectraBase Compound ID Hl1twci2r4f
InChI InChI=1S/C22H26O5S2/c1-4-20(28-21-8-6-5-7-9-21)16-19(26-17-25-3)14-15-27-29(23,24)22-12-10-18(2)11-13-22/h4-13,16,19H,1,14-15,17H2,2-3H3/b20-16-
InChIKey BDUZCLREDBWBGD-SILNSSARSA-N
Mol Weight 434.57 g/mol
Molecular Formula C22H26O5S2
Exact Mass 434.122166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VQAbfYpPX6
Name 4,6-Heptadien-1-ol, 3-(methoxymethoxy)-5-(phenylthio)-, 4-methylbenzenesulfonate, (Z)-(.+-.)-
CAS Registry Number 128845-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5S2
InChI InChI=1S/C22H26O5S2/c1-4-20(28-21-8-6-5-7-9-21)16-19(26-17-25-3)14-15-27-29(23,24)22-12-10-18(2)11-13-22/h4-13,16,19H,1,14-15,17H2,2-3H3/b20-16-
InChIKey BDUZCLREDBWBGD-SILNSSARSA-N
Molecular Weight 434.565 g/mol
SMILES c1(S(=O)(=O)OCCC(\C=C\(Sc2ccccc2)C=C)OCOC)ccc(cc1)C
SPLASH splash10-0ukc-9084100000-d315cbf2b65bb269e6ce
Source of Spectrum J-55-5732-84
Synonyms (4Z)-3-(methoxymethoxy)-5-(phenylsulfanyl)-4,6-heptadienyl 4-methylbenzenesulfonate (Z)-3-(phenylthio)-5-(methoxymethoxy)-7-[(p-tolyl-sulfonyl)oxy]-1,3-heptadiene
Wiley ID 1382895