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12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(ethylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene

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12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(ethylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID BZY9VcU7xLh
InChI InChI=1S/C29H30S3/c1-5-30-27-20-14-8-10-16-22(20)28(31-6-2)24-18-12-13-19-25(24)29(32-7-3,26(27,28)4)23-17-11-9-15-21(23)27/h8-19H,5-7H2,1-4H3/t26-,27-,28+,29-
InChIKey PHXZLQNKJKSBHV-SVBXLRLBSA-N
Mol Weight 474.74 g/mol
Molecular Formula C29H30S3
Exact Mass 474.150964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBZwlNuEUwp
Name 12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(ethylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30S3
InChI InChI=1S/C29H30S3/c1-5-30-27-20-14-8-10-16-22(20)28(31-6-2)24-18-12-13-19-25(24)29(32-7-3,26(27,28)4)23-17-11-9-15-21(23)27/h8-19H,5-7H2,1-4H3/t26-,27-,28+,29-
InChIKey PHXZLQNKJKSBHV-SVBXLRLBSA-N
Molecular Weight 474.739 g/mol
SMILES C12([C@]3(c4ccccc4[C@@]2(c2ccccc2[C@@]1(c1ccccc31)SCC)SCC)SCC)C
SPLASH splash10-03di-3134900000-0a4989425c19710ffe6e
Source of Spectrum KC-57-3606-45
Synonyms 12d-Methyl-4b,8b,12b-tris(ethylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene 4b,8b,12b-tris(ethylsulfanyl)-12d-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Wiley ID 1623914