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1,5-Bis(3-methoxy-3,3-pentamethylenepropionyl)-1,3,5-cycloheptatriene

View entire compound with spectra: 1 MS (GC)

1,5-Bis(3-methoxy-3,3-pentamethylenepropionyl)-1,3,5-cycloheptatriene
SpectraBase Compound ID 8ze4sBQ1fBH
InChI InChI=1S/C25H36O4/c1-28-24(14-5-3-6-15-24)18-22(26)20-10-9-11-21(13-12-20)23(27)19-25(29-2)16-7-4-8-17-25/h9-12H,3-8,13-19H2,1-2H3
InChIKey ZWTFTNATIBYRPK-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TwP8Y4seu
Name 1,5-Bis(3-methoxy-3,3-pentamethylenepropionyl)-1,3,5-cycloheptatriene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-28-24(14-5-3-6-15-24)18-22(26)20-10-9-11-21(13-12-20)23(27)19-25(29-2)16-7-4-8-17-25/h9-12H,3-8,13-19H2,1-2H3
InChIKey ZWTFTNATIBYRPK-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C1(C(CC2(OC)CCCCC2)=O)=CCC(C(CC2(OC)CCCCC2)=O)=CC=C1
SPLASH splash10-03di-2793000000-21be5af7b67f96bd8117
Source of Spectrum F-59-2838-19
Wiley ID 1677675