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5,28:14,19-Diethano-1,26:4,7:12,15:18,21-tetramethenodibenzo[a,m]cycl otetracosene, 2,3,8,9,10,11,16,17,22,23,24,25-dodecahydro-
SpectraBase Compound ID Ehhs7cDSPDZ
InChI InChI=1S/C40H40/c1-2-6-26-19-31-13-15-35-23-28(24-36-16-14-32(20-26)38(31)40(35)36)8-4-3-7-27-21-33-11-9-29-17-25(5-1)18-30-10-12-34(22-27)39(33)37(29)30/h17-24H,1-16H2
InChIKey NWDSDSZGLLXKKH-UHFFFAOYSA-N
Mol Weight 520.8 g/mol
Molecular Formula C40H40
Exact Mass 520.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A73nZ06gFUL
Name 5,28:14,19-Diethano-1,26:4,7:12,15:18,21-tetramethenodibenzo[a,m]cycl otetracosene, 2,3,8,9,10,11,16,17,22,23,24,25-dodecahydro-
Alternate Name(s) 7,8,12,13,21,22,26,27-Octahydro[4.4](2,7)pyrenophane nonacyclo[27.7.1.1(6,34).1(11,19).1(16,24).0(4,35).0(13,18).0(17,22).0(31,36)]tetraconta-1(36),4,6(38),11(40),12,16,18,22,24(39),29(37),30,34-dodecaene
CAS Registry Number 88811-85-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H40
InChI InChI=1S/C40H40/c1-2-6-26-19-31-13-15-35-23-28(24-36-16-14-32(20-26)38(31)40(35)36)8-4-3-7-27-21-33-11-9-29-17-25(5-1)18-30-10-12-34(22-27)39(33)37(29)30/h17-24H,1-16H2
InChIKey NWDSDSZGLLXKKH-UHFFFAOYSA-N
Molecular Weight 520.760 g/mol
SMILES c12-c3c4cc5cc3CCc1cc(cc2CC4)CCCCc1cc2CCc3cc(cc4c3-c2c(c1)CC4)CCCC5
SPLASH splash10-00di-0040090000-11e651bada17bae8b0b1
Source of Spectrum K-117-258-0
Wiley ID 1402080