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1,6-Bis(3-methoxy-3,3-pentamethylenepropionyl)-1,3,5-cycloheptatriene

View entire compound with spectra: 1 MS (GC)

1,6-Bis(3-methoxy-3,3-pentamethylenepropionyl)-1,3,5-cycloheptatriene
SpectraBase Compound ID LSNRpzaIGn4
InChI InChI=1S/C25H36O4/c1-28-24(13-7-3-8-14-24)18-22(26)20-11-5-6-12-21(17-20)23(27)19-25(29-2)15-9-4-10-16-25/h5-6,11-12H,3-4,7-10,13-19H2,1-2H3
InChIKey MBJLFPZUDPOHKE-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 D1aWQIMYoFq
Name 1,6-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(13-7-3-8-14-24)18-22(26)20-11-5-6-12-21(17-20)23(27)19-25(29-2)15-9-4-10-16-25/h5-6,11-12H,3-4,7-10,13-19H2,1-2H3
InChIKey MBJLFPZUDPOHKE-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C=1(C(CC2(OC)CCCCC2)=O)CC(C(CC2(OC)CCCCC2)=O)=CC=CC1
SPLASH splash10-03l0-5892000000-1fb338a98220ed96443d
Source of Spectrum F-59-2838-13
Wiley ID 1677676