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9,10-Dihydro-9,10-(6-exo, 7-anti-[6-endo-phenylthio]-norpinano)-anthracene
SpectraBase Compound ID KL4PRNfQ7XC
InChI InChI=1S/C27H24S/c1-2-9-17(10-3-1)28-27-22-15-8-16-23(27)25(22)24-18-11-4-6-13-20(18)26(27)21-14-7-5-12-19(21)24/h1-7,9-14,22-26H,8,15-16H2/t22-,23+,24-,25-,26-,27-
InChIKey GORUTAXLFWQOFP-TUEUDACVSA-N
Mol Weight 380.55 g/mol
Molecular Formula C27H24S
Exact Mass 380.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvV5smKskcB
Name 12,14-Propano-9,10[1',3']-endo-cyclobutanthracene, 9,10,11,12,13,14-hexahydro-11-(phenylthio)-
Alternate Name(s) (Dibenzo[j,m]tetracyclo[7.2.2.0(2,7).0(3,8)]trideca-10,12-dien-2-yl)-phenyl-sulfide 2-(Phenylsulfanyl)hexacyclo[7.6.6.0(2,7).0(3,8).0(10,15).0(16,21)]henicosa-10,12,14,16,18,20-hexaene Hexacyclo[7.6.6.0(2,7).0(3,8).0(10,15).0(16,21)]henicosa-10,12,14,16,18,20-hexaen-2-yl phenyl sulfide
CAS Registry Number 67490-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24S
InChI InChI=1S/C27H24S/c1-2-9-17(10-3-1)28-27-22-15-8-16-23(27)25(22)24-18-11-4-6-13-20(18)26(27)21-14-7-5-12-19(21)24/h1-7,9-14,22-26H,8,15-16H2/t22-,23+,24-,25-,26-,27-
InChIKey GORUTAXLFWQOFP-TUEUDACVSA-N
Molecular Weight 380.549 g/mol
SMILES [C@]12([C@]3(c4c(cccc4)[C@]([C@]4([C@]1(CCC[C@]24[H])[H])[H])(c1c3cccc1)[H])[H])Sc1ccccc1
SPLASH splash10-002f-0920000000-1ddc3b9e5883afa82420
Source of Spectrum K-118-2911-29
Wiley ID 1360002