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3,15-Bis[4-pentanoyloxyphenyl]-(E)-2,14-dioxatetraspiro[4.0.5.0.4.0.5.0]docosa-3,15-diene-1,13-dione
SpectraBase Compound ID 1J4n4WeBo9f
InChI InChI=1S/C42H48O8/c1-3-5-13-35(43)47-31-19-15-29(16-20-31)33-27-41(37(45)49-33)39(23-9-7-10-24-39)42(40(41)25-11-8-12-26-40)28-34(50-38(42)46)30-17-21-32(22-18-30)48-36(44)14-6-4-2/h15-22,27-28H,3-14,23-26H2,1-2H3
InChIKey NCFJIKPBRKJSTE-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C42H48O8
Exact Mass 680.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKZqhPBUguj
Name 3,15-BIS[4-VALEROYLOXYPHENYL]-trans-2,14-DIOXATETRASPIRO[4.0.5.0.4.0.5.0]DOCOSA-3,15-DIEN-1,13-DIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H48O8
InChI InChI=1S/C42H48O8/c1-3-5-13-35(43)47-31-19-15-29(16-20-31)33-27-41(37(45)49-33)39(23-9-7-10-24-39)42(40(41)25-11-8-12-26-40)28-34(50-38(42)46)30-17-21-32(22-18-30)48-36(44)14-6-4-2/h15-22,27-28H,3-14,23-26H2,1-2H3
InChIKey NCFJIKPBRKJSTE-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 680.3336
SMILES C12(C=C(c3ccc(OC(CCCC)=O)cc3)OC1=O)C1(CCCCC1)C1(C(=O)OC(c3ccc(OC(CCCC)=O)cc3)=C1)C21CCCCC1
SPLASH splash10-0a4i-2691000000-9f2291a6e30850a3e380
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany