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Bis(9-methylthieno[3',2':3,4]tricyclo[6.3.1.0(1,5)]dodec-5(6,9(10)-dien-7-ylidene)
SpectraBase Compound ID CSJvVBWvAT1
InChI InChI=1S/C30H28S2/c1-17-3-7-29-13-19-5-9-31-27(19)25(29)11-21(23(17)15-29)22-12-26-28-20(6-10-32-28)14-30(26)8-4-18(2)24(22)16-30/h3-6,9-12,23-24H,7-8,13-16H2,1-2H3/b22-21+
InChIKey YPYASVIEUXGBLU-QURGRASLSA-N
Mol Weight 452.67 g/mol
Molecular Formula C30H28S2
Exact Mass 452.163243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19sX2iHbC7s
Name Bis(9-methylthieno[3',2':3,4]tricyclo[6.3.1.0(1,5)]dodec-5(6,9(10)-dien-7-ylidene)
Alternate Name(s) 12-methyl-10-[(10E)-12-methyl-6-thiatetracyclo[9.3.1.0(1,8).0(3,7)]pentadeca-3(7),4,8,12-tetraen-10-ylidene]-6-thiatetracyclo[9.3.1.0(1,8).0(3,7)]pentadeca-3(7),4,8,12-tetraene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28S2
InChI InChI=1S/C30H28S2/c1-17-3-7-29-13-19-5-9-31-27(19)25(29)11-21(23(17)15-29)22-12-26-28-20(6-10-32-28)14-30(26)8-4-18(2)24(22)16-30/h3-6,9-12,23-24H,7-8,13-16H2,1-2H3/b22-21+
InChIKey YPYASVIEUXGBLU-QURGRASLSA-N
Molecular Weight 452.674 g/mol
SMILES C=1\C(=C\2C=C3c4c(ccs4)CC33CC2C(=CC3)C)C2CC3(Cc4c(C13)scc4)CC=C2C
SPLASH splash10-0udi-0000900000-85e4bfe446c0fd44df76
Source of Spectrum J-63-8319-3
Wiley ID 1388394