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5,5,13,13,32,32-Hexaoxo-5,13,32-trithiaheptacyclo[15.13.3.2(9,24).1.(3,29).1(7,11).1(15,19).1(22,26)]nonatriaconta-1,3-(36),7(37),8,10,15(38),16,18,22(39),23,25,29-dodecaene

View entire compound with spectra: 1 MS (GC)

5,5,13,13,32,32-Hexaoxo-5,13,32-trithiaheptacyclo[15.13.3.2(9,24).1.(3,29).1(7,11).1(15,19).1(22,26)]nonatriaconta-1,3-(36),7(37),8,10,15(38),16,18,22(39),23,25,29-dodecaene
SpectraBase Compound ID F7J2dXOs44k
InChI InChI=1S/C36H36O6S3/c37-43(38)19-31-10-28-4-1-25-7-26-2-5-29-12-33(21-43)17-35(14-29)23-45(41,42)24-36-15-30(6-3-27(8-25)9-26)13-34(18-36)22-44(39,40)20-32(11-28)16-31/h7-18H,1-6,19-24H2
InChIKey GNZISTOOOVCXSU-UHFFFAOYSA-N
Mol Weight 660.9 g/mol
Molecular Formula C36H36O6S3
Exact Mass 660.167402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEkvn9eBhls
Name 5,5,13,13,32,32-Hexaoxo-5,13,32-trithiaheptacyclo[15.13.3.2(9,24).1.(3,29).1(7,11).1(15,19).1(22,26)]nonatriaconta-1,3-(36),7(37),8,10,15(38),16,18,22(39),23,25,29-dodecaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36O6S3
InChI InChI=1S/C36H36O6S3/c37-43(38)19-31-10-28-4-1-25-7-26-2-5-29-12-33(21-43)17-35(14-29)23-45(41,42)24-36-15-30(6-3-27(8-25)9-26)13-34(18-36)22-44(39,40)20-32(11-28)16-31/h7-18H,1-6,19-24H2
InChIKey GNZISTOOOVCXSU-UHFFFAOYSA-N
Molecular Weight 660.858 g/mol
SMILES C1S(=O)(=O)Cc2cc3CS(Cc4cc5cc(CS(Cc6cc1cc(CCc1cc(CCc(c2)c3)cc(c1)CC5)c6)(=O)=O)c4)(=O)=O
SPLASH splash10-014i-0000910000-2d176aeea677204e7895
Source of Spectrum QE-2-1593-14
Synonyms 5,13,32-trithiaheptacyclo[15.13.3.2(9,24).1(3,29).1(7,11).1(15,19).1(22,26)]nonatriaconta-1,3(36),7(39),8,10,15(38),16,18,22(37),23,25,29-dodecaene 5,5,13,13,32,32-hexaoxide
Wiley ID 842829