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Diethyl 2-[6'-( 9H-xanthen-9''-ylidene)tricyclo[3.3.0.0(3,7)]octan-2'-ylidene]-propanedioate
SpectraBase Compound ID HlMp9E1PcpX
InChI InChI=1S/C28H26O5/c1-3-31-27(29)26(28(30)32-4-2)25-19-13-17-20(25)14-18(19)24(17)23-15-9-5-7-11-21(15)33-22-12-8-6-10-16(22)23/h5-12,17-20H,3-4,13-14H2,1-2H3/t17-,18?,19?,20-/m1/s1
InChIKey WKBXAKAERCKSHS-YNIZLOQISA-N
Mol Weight 442.51 g/mol
Molecular Formula C28H26O5
Exact Mass 442.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VMWy9faqGQ
Name Diethyl 2-[6'-( 9H-xanthen-9''-ylidene)tricyclo[3.3.0.0(3,7)]octan-2'-ylidene]-propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C28H26O5
InChI InChI=1S/C28H26O5/c1-3-31-27(29)26(28(30)32-4-2)25-19-13-17-20(25)14-18(19)24(17)23-15-9-5-7-11-21(15)33-22-12-8-6-10-16(22)23/h5-12,17-20H,3-4,13-14H2,1-2H3/t17-,18?,19?,20-/m1/s1
InChIKey WKBXAKAERCKSHS-YNIZLOQISA-N
Molecular Weight 442.511 g/mol
SMILES C1(=C2c3c(cccc3)Oc3c2cccc3)C2C3C[C@@]1([C@](C3=C(C(=O)OCC)C(=O)OCC)(C2)[H])[H]
SPLASH splash10-0002-0009200000-061a9141fbd02b65f007
Source of Spectrum U1-1999-81-35
Synonyms diethyl 2-[6-(9H-xanthen-9-ylidene)tricyclo[3.3.0.0(3,7)]oct-2-ylidene]malonate
Wiley ID 752291