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4,15-BIS-[(1E,3E)-4-(ETHOXYCARBONYL)-BUTA-1,3-DIENYL]-[2.2]-PARACYCLOPHANE
SpectraBase Compound ID 9BL5u3J89no
InChI InChI=1S/C30H32O4/c1-3-33-29(31)11-7-5-9-27-21-23-13-14-24-16-18-26(20-19-25(27)17-15-23)28(22-24)10-6-8-12-30(32)34-4-2/h5-12,15-18,21-22H,3-4,13-14,19-20H2,1-2H3/b9-5+,10-6+,11-7+,12-8+
InChIKey MVXUGUCVGXALGW-HFBXSBKTSA-N
Mol Weight 456.6 g/mol
Molecular Formula C30H32O4
Exact Mass 456.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dyV4JxTnM
Name 4,15-bis[4'-(Ethoxycarbonyl)buta-1',3'-dienyl]-[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O4
InChI InChI=1S/C30H32O4/c1-3-33-29(31)11-7-5-9-27-21-23-13-14-24-16-18-26(20-19-25(27)17-15-23)28(22-24)10-6-8-12-30(32)34-4-2/h5-12,15-18,21-22H,3-4,13-14,19-20H2,1-2H3/b9-5+,10-6+,11-7+,12-8+
InChIKey MVXUGUCVGXALGW-HFBXSBKTSA-N
Molecular Weight 456.582 g/mol
SMILES c1(c2CCc3c(\C=C\C=C\C(=O)OCC)cc(CCc(c1)cc2)cc3)\C=C\C=C\C(=O)OCC
SPLASH splash10-0560-0921200000-e31d31059ed1d3629b64
Source of Spectrum H-2005-577-7
Synonyms Ethyl (2E,4E)-5-[12-[(1E,3E)-5-ethoxy-5-oxo-1,3-pentadienyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-2,4-pentadienoate
Wiley ID 1562235