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anti-8,17-Dimethylacenaphthyleno[1,2-a]-10-thia[2,3]metacyclophan-1-ene
SpectraBase Compound ID KdEtAOAEOV9
InChI InChI=1S/C28H22S/c1-17-21-10-5-11-22(17)28-24-13-4-8-19-7-3-12-23(27(19)24)25(28)15-20-9-6-14-26(18(20)2)29-16-21/h3-14H,15-16H2,1-2H3
InChIKey DSXLREYMNLUCMI-UHFFFAOYSA-N
Mol Weight 390.54 g/mol
Molecular Formula C28H22S
Exact Mass 390.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bb5MZzqvvR
Name anti-8,17-Dimethylacenaphthyleno[1,2-a]-10-thia[2,3]metacyclophan-1-ene
Alternate Name(s) 26,27-dimethyl-9-thiahexacyclo[15.7.1.1(3,7).1(10,14).0(2,16).0(21,25)]heptacosa-1(24),2(16),3(27),4,6,10(26),11,13,17(25),18,20,22-dodecaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22S
InChI InChI=1S/C28H22S/c1-17-21-10-5-11-22(17)28-24-13-4-8-19-7-3-12-23(27(19)24)25(28)15-20-9-6-14-26(18(20)2)29-16-21/h3-14H,15-16H2,1-2H3
InChIKey DSXLREYMNLUCMI-UHFFFAOYSA-N
Molecular Weight 390.544 g/mol
SMILES C12=C(c3cccc4c3c2ccc4)Cc2c(c(SCc3c(c1ccc3)C)ccc2)C
SPLASH splash10-0006-0009000000-dcb8842848af6b60f02d
Source of Spectrum J-62-923-24
Wiley ID 1365209