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2,2'-Di(benzylthio)-(1R,1'R)-3,3'-biborn-2-ene

View entire compound with spectra: 1 MS (GC)

2,2'-Di(benzylthio)-(1R,1'R)-3,3'-biborn-2-ene
SpectraBase Compound ID 1ZiX6uqpLV
InChI InChI=1S/C34H42S2/c1-31(2)25-17-19-33(31,5)29(35-21-23-13-9-7-10-14-23)27(25)28-26-18-20-34(6,32(26,3)4)30(28)36-22-24-15-11-8-12-16-24/h7-16,25-26H,17-22H2,1-6H3/t25-,26-,33-,34-/m0/s1
InChIKey ZDPVDNNJOZJNTK-PNRIMKNJSA-N
Mol Weight 514.8 g/mol
Molecular Formula C34H42S2
Exact Mass 514.272794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaEnx2T1rMo
Name 2,2'-Di(benzylthio)-(1R,1'R)-3,3'-biborn-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H42S2
InChI InChI=1S/C34H42S2/c1-31(2)25-17-19-33(31,5)29(35-21-23-13-9-7-10-14-23)27(25)28-26-18-20-34(6,32(26,3)4)30(28)36-22-24-15-11-8-12-16-24/h7-16,25-26H,17-22H2,1-6H3/t25-,26-,33-,34-/m0/s1
InChIKey ZDPVDNNJOZJNTK-PNRIMKNJSA-N
Molecular Weight 514.830 g/mol
SMILES C1(C2=C([C@@]3(C)C([C@]2(CC3)[H])(C)C)SCc2ccccc2)=C([C@@]2(C)C([C@]1(CC2)[H])(C)C)SCc1ccccc1
SPLASH splash10-01x0-0009670000-02a5b8a0b46029a22454
Source of Spectrum F-51-13254-5
Synonyms (1R)-2-(benzylsulfanyl)-3-[(4R)-3-(benzylsulfanyl)-4,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
Wiley ID 794351