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1,2-Benzenediol, 4,4'-((1E)-1-penten-4-yne-1,5-diyl)bis-, tetraacetate
SpectraBase Compound ID 48vzyU0HhCa
InChI InChI=1S/C25H22O8/c1-16(26)30-22-12-10-20(14-24(22)32-18(3)28)8-6-5-7-9-21-11-13-23(31-17(2)27)25(15-21)33-19(4)29/h6,8,10-15H,5H2,1-4H3/b8-6+
InChIKey PORSVYZKNRKHHP-SOFGYWHQSA-N
Mol Weight 450.44 g/mol
Molecular Formula C25H22O8
Exact Mass 450.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwcUTVpyGDX
Name 1,2-Benzenediol, 4,4'-((1E)-1-penten-4-yne-1,5-diyl)bis-, tetraacetate
CAS Registry Number 83654-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O8
InChI InChI=1S/C25H22O8/c1-16(26)30-22-12-10-20(14-24(22)32-18(3)28)8-6-5-7-9-21-11-13-23(31-17(2)27)25(15-21)33-19(4)29/h6,8,10-15H,5H2,1-4H3/b8-6+
InChIKey PORSVYZKNRKHHP-SOFGYWHQSA-N
Molecular Weight 450.443 g/mol
SMILES c1(c(OC(=O)C)ccc(\C=C\CC#Cc2cc(OC(=O)C)c(cc2)OC(=O)C)c1)OC(=O)C
SPLASH splash10-00si-0089300000-251f6ef215096f31c197
Source of Spectrum F-38-1686-0
Synonyms Acetic acid [2-acetyloxy-4-[(E)-5-(3,4-diacetyloxyphenyl)pent-1-en-4-ynyl]phenyl] ester [2-acetyloxy-4-[(E)-5-(3,4-diacetyloxyphenyl)pent-1-en-4-ynyl]phenyl] acetate [2-acetoxy-4-[(E)-5-(3,4-diacetoxyphenyl)pent-1-en-4-ynyl]phenyl] acetate [2-acetyloxy-4-[(E)-5-(3,4-diacetyloxyphenyl)pent-1-en-4-ynyl]phenyl] ethanoate
Wiley ID 1387692