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2-OXATRISPIRO[4.0.5.2.5.0]NONADEC-3-EN-1,12-DIONE, 13-(Z)-(4-ACETOXYBENZOYLMETHYLENE)-3-(4-ACETOXYPHENYL)-
SpectraBase Compound ID HGQnZJXE1YW
InChI InChI=1S/C36H38O8/c1-23(26-10-14-28(15-11-26)43-24(2)37)42-34(41)32-35(18-6-4-7-19-35)30(33(40)36(32)20-8-5-9-21-36)22-31(39)27-12-16-29(17-13-27)44-25(3)38/h10-17,22,32H,1,4-9,18-21H2,2-3H3/b30-22+
InChIKey GHJGKDKINFYBBR-JBASAIQMSA-N
Mol Weight 598.7 g/mol
Molecular Formula C36H38O8
Exact Mass 598.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXh3kkWh5uO
Name 2-OXATRISPIRO[4.0.5.2.5.0]NONADEC-3-EN-1,12-DIONE, 13-(Z)-(4-ACETOXYBENZOYLMETHYLENE)-3-(4-ACETOXYPHENYL)-
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Formula C36H36O8
InChI InChI=1S/C36H38O8/c1-23(26-10-14-28(15-11-26)43-24(2)37)42-34(41)32-35(18-6-4-7-19-35)30(33(40)36(32)20-8-5-9-21-36)22-31(39)27-12-16-29(17-13-27)44-25(3)38/h10-17,22,32H,1,4-9,18-21H2,2-3H3/b30-22+
InChIKey GHJGKDKINFYBBR-JBASAIQMSA-N
Instrument Name 311A
Molecular Weight 598.2556
SMILES C1C2(C(C(=O)OC(c3ccc(OC(C)=O)cc3)=C)C3(CCCCC3)\C(=C\C(c3ccc(OC(C)=O)cc3)=O)C2=O)CCCC1
SPLASH splash10-05fs-3981000000-e4e1786c1b0929d4a8c9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany