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1,4,8,11-Tetramethoxymethylenediyl-5,14:6,13:7,12:8,11-tetramethanodocosanehydropentacene
SpectraBase Compound ID cowpPT1eX4
InChI InChI=1S/C31H42O4/c1-32-30(33-2)18-5-6-19(30)27-15-10-14(26(18)27)22-12-9-13(23(15)22)25-17-11-16(24(12)25)28-20-7-8-21(29(17)28)31(20,34-3)35-4/h5-6,12-29H,7-11H2,1-4H3/t12-,13+,14+,15-,16-,17+,18+,19-,20+,21-,22?,23?,24+,25-,26?,27?,28-,29+
InChIKey RKMDJPPEMDEYPV-IZWMDNJSSA-N
Mol Weight 478.7 g/mol
Molecular Formula C31H42O4
Exact Mass 478.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7twUDbuA1g4
Name 1,4,8,11-Tetramethoxymethylenediyl-5,14:6,13:7,12:8,11-tetramethanodocosanehydropentacene
Alternate Name(s) 25,25,27,27-tetramethoxydecacyclo[10.10.1.1(3,10).1(5,8).1(14,21).1(16,19).0(2,11).0(4,9).0(13,22).0(15,20)]heptacos-6-ene Tetramethoxy-decacyclo adduct
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42O4
InChI InChI=1S/C31H42O4/c1-32-30(33-2)18-5-6-19(30)27-15-10-14(26(18)27)22-12-9-13(23(15)22)25-17-11-16(24(12)25)28-20-7-8-21(29(17)28)31(20,34-3)35-4/h5-6,12-29H,7-11H2,1-4H3/t12-,13+,14+,15-,16-,17+,18+,19-,20+,21-,22?,23?,24+,25-,26?,27?,28-,29+
InChIKey RKMDJPPEMDEYPV-IZWMDNJSSA-N
Molecular Weight 478.673 g/mol
SMILES C1([C@@]2(C3[C@@]4(C5[C@@]6([C@]7([C@@]8([C@@]9([C@@]%10(CC[C@@](C%10(OC)OC)([C@@]9([C@]([C@]7([C@](C5[C@](C3[C@]1(C=C2)[H])(C4)[H])(C6)[H])[H])(C8)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])(OC)OC
SPLASH splash10-0udi-4900100000-06f507b6d6b74a1ec285
Source of Spectrum HE-1999-400-14
Wiley ID 1613482