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4b.beta,8b.beta,12b..beta.-Triallyl-4b,8b,12b,12d..beta.-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID A6K3sSpH7R5
InChI InChI=1S/C31H28/c1-4-19-29-22-13-7-9-15-24(22)30(20-5-2)26-17-11-12-18-27(26)31(21-6-3,28(29)30)25-16-10-8-14-23(25)29/h4-18,28H,1-3,19-21H2/t28-,29+,30-,31+
InChIKey TVSCKGMIBFAJDC-UTMDYKGZSA-N
Mol Weight 400.57 g/mol
Molecular Formula C31H28
Exact Mass 400.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iqbzI5WsV4
Name 4b.beta,8b.beta,12b..beta.-Triallyl-4b,8b,12b,12d..beta.-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Alternate Name(s) 4b,8b,12b-Triallyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28
InChI InChI=1S/C31H28/c1-4-19-29-22-13-7-9-15-24(22)30(20-5-2)26-17-11-12-18-27(26)31(21-6-3,28(29)30)25-16-10-8-14-23(25)29/h4-18,28H,1-3,19-21H2/t28-,29+,30-,31+
InChIKey TVSCKGMIBFAJDC-UTMDYKGZSA-N
Molecular Weight 400.565 g/mol
SMILES [C@]12(C3[C@](c4ccccc4[C@]3(CC=C)c3c1cccc3)(CC=C)c1c2cccc1)CC=C
SPLASH splash10-0a4i-0029000000-aa494cafe3eb342b581e
Source of Spectrum KC-57-3600-10
Wiley ID 1623845